289361 <common-name>3-[carboxymethyl(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium</common-name> <description>3-[carboxymethyl(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 531.40 g/mol, 3-[carboxymethyl(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium is a heavy molecule. Its chemical formula is C13H22F7N2O8S2+.</description> <cas>2089109-83-9</cas> <pubchem-id>139595902</pubchem-id> <chemical-formula>C13H22F7N2O8S2+</chemical-formula> <weight>531.4</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">2026-08-28T02:49:40Z</created-at> <updated-at type="dateTime">2026-08-28T02:49:40Z</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>C[N+](C)(CCCN(CC(=O)O)S(=O)(=O)C(C(C(F)(F)F)(F)F)(F)F)CC(CS(=O)(=O)O)O</moldb-smiles> <moldb-formula>C13H22F7N2O8S2+</moldb-formula> <moldb-inchi>InChI=1S/C13H21F7N2O8S2/c1-22(2,7-9(23)8-31(26,27)28)5-3-4-21(6-10(24)25)32(29,30)13(19,20)11(14,15)12(16,17)18/h9,23H,3-8H2,1-2H3,(H-,24,25,26,27,28)/p+1</moldb-inchi> <moldb-inchikey>LIDJEVBUWGYUHC-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">531.0705802</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.3</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>CHEM285254</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id nil="true"/> <iupac>3-[carboxymethyl(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)amino]propyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium</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>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0241054</sync-id> <structure-inchikey>LIDJEVBUWGYUHC-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>40000000020000100000800000002000000000000000000000000000100000000000000000000000000000020000000004000002080000000000000000000000000000100000000000008004000008000020000000000000000000000000000100000000010000010000000000004200000040000000000000000800000000000000000040080000404000000000000000000000020000008010000000000000000000000000800000000000000002800010000000040000080000000000000000000000000000000000000008000000000000000000000020400000100000000000000000000100000000000000010400800001000000000000000001000200</structure-fingerprint> 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