348841 <common-name>[3-carboxy-2-[9-(5-hexyl-3,4-dimethylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium</common-name> <description>[3-carboxy-2-[9-(5-hexyl-3,4-dimethylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium is a compound with the formula C28H50NO5+. It has an average molecular weight of 480.70 g/mol.</description> <cas nil="true"/> <pubchem-id>156962940</pubchem-id> <chemical-formula>C28H50NO5+</chemical-formula> <weight>480.7</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">2026-08-31T13:02:31Z</created-at> <updated-at type="dateTime">2026-08-31T13:02:31Z</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>CCCCCCC1=C(C(=C(O1)CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C)C)C</moldb-smiles> <moldb-formula>C28H50NO5+</moldb-formula> <moldb-inchi>InChI=1S/C28H49NO5/c1-7-8-9-14-17-25-22(2)23(3)26(34-25)18-15-12-10-11-13-16-19-28(32)33-24(20-27(30)31)21-29(4,5)6/h24H,7-21H2,1-6H3/p+1</moldb-inchi> <moldb-inchikey>IVHDLMPCVYHTFN-UHFFFAOYSA-O</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">480.3688987</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.1</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>CHEM344734</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-carboxy-2-[9-(5-hexyl-3,4-dimethylfuran-2-yl)nonanoyloxy]propyl]-trimethylazanium</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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0299169</sync-id> <structure-inchikey>IVHDLMPCVYHTFN-UHFFFAOYSA-O</structure-inchikey> <structure-fingerprint>40000000000000000400800000000004000000000000000000000000000000080000000002000003000000000000000004000002000000000000000000000000100000000000000400010000000008000020800000000100000000000000008000000020010000000000000000080000000000000000008000000800000000000000000040000200000000000000050000000000800400000000001000001000002000000000000000000000082001000000000048000000000000000000000000000008000000000800100000000000000000000000002000400000000000000000000000000000020000000000010400000000000000000000000000000000</structure-fingerprint> 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