326407 <common-name>Carboxymethyl-[3-[[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)acetyl]amino]propyl]-dimethylazanium</common-name> <description>Carboxymethyl-[3-[[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)acetyl]amino]propyl]-dimethylazanium has the chemical formula C21H22F21N2O3S+. With an average molecular weight of 781.40 g/mol, Carboxymethyl-[3-[[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)acetyl]amino]propyl]-dimethylazanium is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>138394399</pubchem-id> <chemical-formula>C21H22F21N2O3S+</chemical-formula> <weight>781.4</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">2026-08-30T04:40:51Z</created-at> <updated-at type="dateTime">2026-08-30T04:40:51Z</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)(CCCNC(=O)CSCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CC(=O)O</moldb-smiles> <moldb-formula>C21H22F21N2O3S+</moldb-formula> <moldb-inchi>InChI=1S/C21H21F21N2O3S/c1-44(2,8-11(46)47)6-3-5-43-10(45)9-48-7-4-12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)19(36,37)20(38,39)21(40,41)42/h3-9H2,1-2H3,(H-,43,45,46,47)/p+1</moldb-inchi> <moldb-inchikey>GIDYUKADFJBSAU-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">781.1015801</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.7</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>CHEM322300</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>Carboxymethyl-[3-[[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecylsulfanyl)acetyl]amino]propyl]-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>CED0277026</sync-id> <structure-inchikey>GIDYUKADFJBSAU-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>1000024000100000800000002800800000000000000004000000000000000000000000000000000040000000000004000002000000000000000000000000000000000000000000000400000008080020101000000000000000000000000000000000010000010000000000000200000048000000004000080000000000000000000840000000000000000000000080000202000000800000000000010000000000080000000000000000000002200000000000040000000000000000000000000000000020000000100000000000000000000000000000400000001000000000000000000000000008000000010400800000010000000000000000000000</structure-fingerprint> 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��(�� � � ������ � ������������������������������������������������������ ��!��"��#��$��%��&��'��(��)� *� +��,�,-�-.(�-/ B��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:30:02Z</structure-indexed-at> </compound>