94189 <common-name>Sodium 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatetracontyl sulphate</common-name> <description>Sodium 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatetracontyl sulphate belongs to the sulfuric acid esters, a subclass of organic sulfuric acids and derivatives within the organic compounds. It has the chemical formula C36H74O16S. With an average molecular weight of 817.01 g/mol, Sodium 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatetracontyl sulphate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>105301</pubchem-id> <chemical-formula>C36H74O16S</chemical-formula> <weight>795</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">2026-04-05T02:33:43Z</created-at> <updated-at type="dateTime">2026-08-31T21:44:34Z</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>[Na+].CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOS([O-])(=O)=O</moldb-smiles> <moldb-formula>C36H74O16S</moldb-formula> <moldb-inchi>InChI=1/C36H74O16S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-40-13-14-41-15-16-42-17-18-43-19-20-44-21-22-45-23-24-46-25-26-47-27-28-48-29-30-49-31-32-50-33-34-51-35-36-52-53(37,38)39;/h2-36H2,1H3,(H,37,38,39);/q;+1/p-1</moldb-inchi> <moldb-inchikey>AGMRJQXCAJZJNK-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">817.01</moldb-average-mass> <moldb-mono-mass type="decimal">794.4697573</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3</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>CHEM090082</chemdb-id> <dsstox-id>DTXSID8070415</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00055936</susdat-id> <iupac>2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen sulfate</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>Organic acids and derivatives</superklass> <klass>Organic sulfuric acids and derivatives</klass> <subklass>Sulfuric acid esters</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0183615</sync-id> <structure-inchikey>AGMRJQXCAJZJNK-UHFFFAOYSA-M</structure-inchikey> 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