14343 <common-name>1,3,6-Pyrenetrisulfonic acid, 8-hydroxy-, trisodium salt</common-name> <description nil="true"/> <cas>6358-69-6</cas> <pubchem-id nil="true"/> <chemical-formula>C16H7Na3O10S3</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T04:10:25Z</created-at> <updated-at type="dateTime">2026-04-05T18:26:38Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[Na+].[Na+].[Na+].OS(=O)(=O)C1=C2C=CC3=C(C=C([O-])C4=C3C2=C(C=C4)C(=C1)S([O-])(=O)=O)S([O-])(=O)=O</moldb-smiles> <moldb-formula>C16H7Na3O10S3</moldb-formula> <moldb-inchi>InChI=1S/C16H10O10S3.3Na/c17-11-5-12(27(18,19)20)8-3-4-10-14(29(24,25)26)6-13(28(21,22)23)9-2-1-7(11)15(8)16(9)10;;;/h1-6,17H,(H,18,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3</moldb-inchi> <moldb-inchikey>KXXXUIKPSVVSAW-UHFFFAOYSA-K</moldb-inchikey> <moldb-average-mass type="decimal">524.37</moldb-average-mass> <moldb-mono-mass type="decimal">523.88944279</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM013238</chemdb-id> <dsstox-id>DTXSID4041739</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00080923</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>191.82999999999996</moldb-polar-surface-area> <moldb-refractivity>108.87789999999995</moldb-refractivity> <moldb-polarizability>39.603721089121706</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>10</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>-2.832773051095942</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.1612277642925735</moldb-pka-strongest-basic> <moldb-physiological-charge>-3</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>0.08</moldb-alogps-logp> <moldb-alogps-logs>-3.66</moldb-alogps-logs> <moldb-alogps-solubility>1.13e-01 g/l</moldb-alogps-solubility> </compound>