325985 <common-name>(2s,3s,4s,5r)-6-[3-chloro-5-fluoro-4-(5-methyl-2-oxo-3h-indol-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</common-name> <description>(2s,3s,4s,5r)-6-[3-chloro-5-fluoro-4-(5-methyl-2-oxo-3h-indol-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is a chemical compound with the formula C21H19ClFNO8. It has an average molecular weight of 467.80 g/mol.</description> <cas nil="true"/> <pubchem-id>154699948</pubchem-id> <chemical-formula>C21H19ClFNO8</chemical-formula> <weight>467.8</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">2026-08-30T04:00:30Z</created-at> <updated-at type="dateTime">2026-08-30T04:00:30Z</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>CC1=CC2=C(C=C1)N(C(=O)C2)C3=C(C=C(C=C3Cl)OC4C(C(C(C(O4)C(=O)O)O)O)O)F</moldb-smiles> <moldb-formula>C21H19ClFNO8</moldb-formula> <moldb-inchi>InChI=1S/C21H19ClFNO8/c1-8-2-3-13-9(4-8)5-14(25)24(13)15-11(22)6-10(7-12(15)23)31-21-18(28)16(26)17(27)19(32-21)20(29)30/h2-4,6-7,16-19,21,26-28H,5H2,1H3,(H,29,30)/t16-,17-,18+,19-,21?/m0/s1</moldb-inchi> <moldb-inchikey>SETAFJOLASRPRK-DAZJWRSOSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">467.0783224</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>1.7</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>CHEM321878</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>(2s,3s,4s,5r)-6-[3-chloro-5-fluoro-4-(5-methyl-2-oxo-3h-indol-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid</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 oxygen compounds</superklass> <klass>Organooxygen compounds</klass> <subklass>Carbohydrates and carbohydrate conjugates</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0276610</sync-id> <structure-inchikey>SETAFJOLASRPRK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20100000000000000000001000001000000000000020200000000002000004000000000000000000000000400000000800020000400040000000000000000020800000000390000000000000000000400002010012000002000000100000000000020100000080000000000004100004000040000000000000000000000000000000000000400000080000408000000100000010000000000000080000000000010000020000000100000000000000000008000000000000000000000000008012000000002000000200000000000000000100008040000040000000001440800000004200000000000001000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAgAAAAIwAAAIABBgBgAAAAAQMGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEH ACgAAAADAwYAKAAAAAMECAAoAAAAAwIGAGAAAAACAgZAKAAAAAMEBkAoAAAA AwQGQGgAAAADAwEGQCgAAAADBAZAaAAAAAMDAQZAKAAAAAMEEQAgAAAAAQgA KAAAAAMCBgBgAAAAAwEGAGAAAAADAQYAYAAAAAMBBgBgAAAAAwEGAGAAAAAD AQgAIAAAAAIGACgAAAADBAgAKAAAAAMCCABoAAAAAwEBCABgAAAAAQEIAGAA AAABAQgAYAAAAAEBCQAgAAAAAQsAAQABAmgMAgNoDAMEaAwEBWgMBQZoDAQH IAcIIAgJKAIICgAHCyALDGgMDA1oDA0OaAwOD2gMDxBoDBARAA4SIBITABMU ABQVABUWABYXABcYABcZABkaKAIZGyAWHAAVHQAUHgAMHwAGAWgMCgMAEAto DBgTAEIEAAAABgEGBQQDAgUIBwQDCgYMDQ4PEAsGFBUWFxgTFwQAAAAAAAAA Fg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:29:46Z</structure-indexed-at> </compound>