12496 <common-name>Sorbitan, trioctadecanoate</common-name> <description nil="true"/> <cas>26658-19-5</cas> <pubchem-id>15181202</pubchem-id> <chemical-formula>C60H114O8</chemical-formula> <weight>963.5</weight> <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">2016-05-19T03:38:02Z</created-at> <updated-at type="dateTime">2026-04-17T19:56:06Z</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>DB20134</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>[H][C@](CO)(OC(=O)CCCCCCCCCCCCCCCCC)[C@@]1([H])OC[C@]([H])(OC(=O)CCCCCCCCCCCCCCCCC)[C@@]1([H])OC(=O)CCCCCCCCCCCCCCCCC</moldb-smiles> <moldb-formula>C60H114O8</moldb-formula> <moldb-inchi>InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(62)66-54(52-61)59-60(68-58(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)55(53-65-59)67-57(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-61H,4-53H2,1-3H3/t54-,55+,59-,60-/m1/s1</moldb-inchi> <moldb-inchikey>HWKVXMKNXIZHLF-LLPUSWRMSA-N</moldb-inchikey> <moldb-average-mass type="decimal">963.564</moldb-average-mass> <moldb-mono-mass type="decimal">962.851370631</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>32698084</chemspider-id> <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>CHEM011391</chemdb-id> <dsstox-id>DTXSID8047054</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00097372</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>108.36000000000001</moldb-polar-surface-area> <moldb-refractivity>283.2736999999999</moldb-refractivity> <moldb-polarizability>127.64805136554662</moldb-polarizability> <moldb-rotatable-bond-count>56</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>14.564579433466601</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-2.9892529558017085</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>10.20</moldb-alogps-logp> <moldb-alogps-logs>-7.73</moldb-alogps-logs> <moldb-alogps-solubility>1.81e-05 g/l</moldb-alogps-solubility> </compound>