Brightway Flows 1.0
GitHub

Identity

Type
Neutral molecule
CAS
1314-56-3
EC
215-236-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1,3-dioxodiphosphoxane 1,3-dioxide

This substance carries 4 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

11

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DLYUQMMRRRQYAE-UHFFFAOYSA-N, VNZYIVBHUDKWEO-UHFFFAOYSA-L, XPPKVPWEQAFLFU-UHFFFAOYSA-N, YWEUIGNSBFLMFL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/2H2O.Pb/h2*1H2;/q;;+2/p-2, InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6), InChI=1S/O10P4/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12, InChI=1S/O5P2/c1-6(2)5-7(3)4
IUPAC name chemrof:IUPAC_name 2,4,6,8,9,10-hexaoxa-1lambda5,3lambda5,5lambda5,7lambda5-tetraphosphatricyclo[3.3.1.13,7]decane 1,3,5,7-tetraoxide, lead(2+) dihydroxide, phosphono dihydrogen phosphate, plumbous dihydroxide
Molecular formula chemrof:molecular_formula H2O2Pb, H4O7P2, O10P4, O5P2
SMILES string chemrof:smiles_string O=P(=O)OP(=O)=O, O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3, OP(=O)(O)OP(=O)(O)O, [OH-].[OH-].[Pb+2]

Known URLs

35

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1314-56-3 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=16752-60-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=19783-14-3 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29262 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:29888 enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37376 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.017.795 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.039.358 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4075035 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID601015737 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID701335584 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB04160 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=289196 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1160571 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4E862E7GRQ enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000250 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0251463 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256493 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=3103.11.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J351.175H enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.595C enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J96.326G enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C00013 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/3HY27NH9GZ8M enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1160571 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/1023 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/14812 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6326975 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9859601 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=000493 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q369309 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q411092 enrich_references.pubchem_identifier_url
Wikidata https://www.wikidata.org/wiki/Q412573 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Lead(II)_hydroxide enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Pyrophosphoric_acid enrich_references.pubchem_identifier_url

Elementary flows

15
Flow Context Source Unit CFs
c24899dc-6da4-431b-8fb2-9c6548a2a7d6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d1ec4b5a-5548-40f8-98e6-61f192a7dc2b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
81e48f73-e284-4f70-8969-b29e78b57760 Environmental → Air → Indoor EF 3.1 kg 2
a0b8b3c9-7e48-491f-9109-262244b414fb Environmental → Air → Long-term EF 3.1 kg 0
e21f09a9-7271-4d2b-8d4f-b1ff484dad90 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
74034aca-9e94-4ec5-a7ca-39b339fea806 Environmental → Air → Unknown EF 3.1 kg 2
e0b54815-54b8-4f1d-96eb-a5473dc1b298 Environmental → Ground → Agricultural EF 3.1 kg 2
9d88f1ac-4995-4dad-8103-f4df5000666b Environmental → Ground → Non-agricultural EF 3.1 kg 2
68e54473-6401-45dd-8707-1219e4384426 Environmental → Ground → Unknown EF 3.1 kg 2
c8075ae2-85bc-43ce-98b9-943baf6fc93f Environmental → Water → Long-term EF 3.1 kg 0
1502592d-31f3-49d6-baf2-045526344a4e Environmental → Water → Ocean EF 3.1 kg 2
f67aeb6f7547f8a888204e76f24f83c95024488d Environmental → Water → River stepwise algorithm addition kg 0
d85a1b82-4ea1-4242-8089-dfb68d8c8af5 Environmental → Water → Surface water EF 3.1 kg 2
878fde7d13f81c9372b664af6ff726df954f6443 Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
ba190cfd-f42e-4f57-aab7-61f065ce1342 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-61672a19d0d5dc87",
  "prefLabel": [
    {
      "@value": "1,3-dioxodiphosphoxane 1,3-dioxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Diphosphorus pentaoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1314-56-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diphosphorus pentaoxide (P2O5)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1314-56-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diphosphorus pentoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphoric acid anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1314-56-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphoric anhydride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphoric oxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphoric pentoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1314-56-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorus oxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1314-56-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorus oxide (P2O5)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1314-56-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorus pentaoxide",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphorus pentoxide",
      "@language": "en",
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        ],
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      }
    }
  ],
  "properties": {
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        "H2O2Pb",
        "H4O7P2",
        "O10P4",
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      ],
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          "enrich_references.pubchem_semantic"
        ],
        "H4O7P2": [
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        ],
        "O10P4": [
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        ],
        "O5P2": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
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    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
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        "DLYUQMMRRRQYAE-UHFFFAOYSA-N",
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        "XPPKVPWEQAFLFU-UHFFFAOYSA-N",
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        "YWEUIGNSBFLMFL-UHFFFAOYSA-N": [
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      },
      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "O=P(=O)OP(=O)=O",
        "O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3",
        "OP(=O)(O)OP(=O)(O)O",
        "[OH-].[OH-].[Pb+2]"
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        "OP(=O)(O)OP(=O)(O)O": [
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        "[OH-].[OH-].[Pb+2]": [
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      },
      "rdfs:label": "SMILES",
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      "@value": [
        "InChI=1S/2H2O.Pb/h2*1H2;/q;;+2/p-2",
        "InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)",
        "InChI=1S/O10P4/c1-11-5-12(2)8-13(3,6-11)10-14(4,7-11)9-12",
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      "@value": [
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        "lead(2+) dihydroxide",
        "phosphono dihydrogen phosphate",
        "plumbous dihydroxide"
      ],
      "attested_by": {
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        "lead(2+) dihydroxide": [
          "enrich_references.pubchem_semantic"
        ],
        "phosphono dihydrogen phosphate": [
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        ],
        "plumbous dihydroxide": [
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        ]
      },
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