80781 <common-name>Sorbitan, didocosanoate</common-name> <description>Sorbitan, didocosanoate belongs to the fatty acid esters, a subclass of fatty acyls within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules and has the formula C50H96O7. With an average molecular weight of 809.31 g/mol, Sorbitan, didocosanoate is a heavy molecule.</description> <cas>93980-58-6</cas> <pubchem-id>44152016</pubchem-id> <chemical-formula>C50H96O7</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">2026-04-04T16:33:34Z</created-at> <updated-at type="dateTime">2026-04-04T16:33:34Z</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>CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)[C@H]1OC[C@H](O)[C@H]1OC(=O)CCCCCCCCCCCCCCCCCCCCC</moldb-smiles> <moldb-formula>C50H96O7</moldb-formula> <moldb-inchi>InChI=1S/C50H96O7/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-47(53)56-46(43-51)50-49(45(52)44-55-50)57-48(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-46,49-52H,3-44H2,1-2H3/t45-,46+,49+,50+/m0/s1</moldb-inchi> <moldb-inchikey>XLHKBKPYBHLCTJ-NEWJQEBSSA-N</moldb-inchikey> <moldb-average-mass type="decimal">809.311</moldb-average-mass> <moldb-mono-mass type="decimal">808.715605</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>52563543</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>CHEM076674</chemdb-id> <dsstox-id>DTXSID80240068</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00039834</susdat-id> <iupac>[(2R,3R,4S)-2-[(1R)-1-docosanoyloxy-2-hydroxyethyl]-4-hydroxyoxolan-3-yl] docosanoate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0138020</sync-id> <structure-inchikey>XLHKBKPYBHLCTJ-NEWJQEBSSA-N</structure-inchikey> <structure-fingerprint>40000000000000000400800000000000000000000000000000000002000000002000000002000000000000000000000000000000000000000000004020000000000000000000000000010000000000000020800000200100000000000000000000000020210000000000400000000000000000020010000000000000000000100000000040008000000000000200010800000000000000000000000000401000000000000000000020000000002001000020000048000000000008000000000000000008000000000000000000000000000000000000000002000000000000000000000000000000000000000000010410000002000000000000000010000008</structure-fingerprint> 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