46709 <common-name>6,14-diethyl-1,1,1,2,2,18,18,19,19,19-decafluoro-8,12-dioxo-10-({[1-(2,2,3,3,3-pentafluoropropoxy)butan-2-yl]oxy}carbonyl)-4,7,13,16-tetraoxanonadecane-9-sulfonic acid</common-name> <description>6,14-diethyl-1,1,1,2,2,18,18,19,19,19-decafluoro-8,12-dioxo-10-({[1-(2,2,3,3,3-pentafluoropropoxy)butan-2-yl]oxy}carbonyl)-4,7,13,16-tetraoxanonadecane-9-sulfonic acid belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 868.60 g/mol, 6,14-diethyl-1,1,1,2,2,18,18,19,19,19-decafluoro-8,12-dioxo-10-({[1-(2,2,3,3,3-pentafluoropropoxy)butan-2-yl]oxy}carbonyl)-4,7,13,16-tetraoxanonadecane-9-sulfonic acid is a heavy molecule. Its chemical formula is C27H35F15O12S.</description> <cas>1472795-86-0</cas> <pubchem-id>139596968</pubchem-id> <chemical-formula>C27H35F15O12S</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">2016-06-03T13:29:31Z</created-at> <updated-at type="dateTime">2026-03-26T20:52:54Z</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>CCC(COCC(F)(F)C(F)(F)F)OC(=O)CC(C(C(=O)OC(CC)COCC(F)(F)C(F)(F)F)S(O)(=O)=O)C(=O)OC(CC)COCC(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C27H35F15O12S</moldb-formula> <moldb-inchi>InChI=1S/C27H35F15O12S/c1-4-14(8-49-11-22(28,29)25(34,35)36)52-18(43)7-17(20(44)53-15(5-2)9-50-12-23(30,31)26(37,38)39)19(55(46,47)48)21(45)54-16(6-3)10-51-13-24(32,33)27(40,41)42/h14-17,19H,4-13H2,1-3H3,(H,46,47,48)</moldb-inchi> <moldb-inchikey>WWJLFXJBYQZNEB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">868.6</moldb-average-mass> <moldb-mono-mass type="decimal">868.160970186</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>CHEM045604</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008530</stoff-ident-id> <susdat-id>NS00003286</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>160.95999999999995</moldb-polar-surface-area> <moldb-refractivity>148.9782000000001</moldb-refractivity> <moldb-polarizability>66.09206942056514</moldb-polarizability> <moldb-rotatable-bond-count>30</moldb-rotatable-bond-count> <moldb-acceptor-count>9</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>-1.1660842959126025</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-3.708985364103468</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>3.44</moldb-alogps-logp> <moldb-alogps-logs>-4.42</moldb-alogps-logs> <moldb-alogps-solubility>3.33e-02 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Tricarboxylic acids and derivatives</subklass> <paper-count type="integer">0</paper-count> <sync-id>CED0126883</sync-id> <structure-inchikey>WWJLFXJBYQZNEB-UHFFFAOYSA-N</structure-inchikey> 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