17341 <common-name>Auranofin</common-name> <description nil="true"/> <cas>34031-32-8</cas> <pubchem-id nil="true"/> <chemical-formula>C20H34AuO9PS</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">2016-05-22T03:23:54Z</created-at> <updated-at type="dateTime">2026-05-14T16:55:16Z</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>DB00995</drugbank-id> <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>[Au+].CCP(CC)CC.[H][C@]1([S-])O[C@@]([H])(COC(C)=O)[C@]([H])(OC(C)=O)[C@@]([H])(OC(C)=O)[C@]1([H])OC(C)=O</moldb-smiles> <moldb-formula>C20H34AuO9PS</moldb-formula> <moldb-inchi>InChI=1S/C14H20O9S.C6H15P.Au/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18;1-4-7(5-2)6-3;/h10-14,24H,5H2,1-4H3;4-6H2,1-3H3;/q;;+1/p-1/t10-,11-,12+,13-,14+;;/m0../s1</moldb-inchi> <moldb-inchikey>AUJRCFUBUPVWSZ-PTNXSCMHSA-M</moldb-inchikey> <moldb-average-mass type="decimal">678.48</moldb-average-mass> <moldb-mono-mass type="decimal">678.132685</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>-1</logp> <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>CHEM016236</chemdb-id> <dsstox-id>DTXSID4020115</dsstox-id> <toxcast-id>20115</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>[(2R,3R,4S,5R,6S)-3,4,5-tris(acetyloxy)-6-{[(triethyl-lambda5-phosphanylidene)aurio]sulfanyl}oxan-2-yl]methyl acetate</iupac> <moldb-polar-surface-area>114.43000000000002</moldb-polar-surface-area> <moldb-refractivity>79.49200000000002</moldb-refractivity> <moldb-polarizability>34.64435563565467</moldb-polarizability> <moldb-rotatable-bond-count>12</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>8.634691134703841</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-4.287751563437174</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>0.65</moldb-alogps-logp> <moldb-alogps-logs>-1.98</moldb-alogps-logs> <moldb-alogps-solubility>5.85e+00 g/l</moldb-alogps-solubility> </compound>