<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335984</id>
  <title nil="true"/>
  <common-name>(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]oxane-2-carboxylic acid</common-name>
  <description>(2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]oxane-2-carboxylic acid is a chemical compound with the formula C23H26F3NO7. It has an average molecular weight of 485.40 g/mol.</description>
  <cas>96735-71-6</cas>
  <pubchem-id>71316864</pubchem-id>
  <chemical-formula>C23H26F3NO7</chemical-formula>
  <weight>485.4</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">2026-08-30T18:16:12Z</created-at>
  <updated-at type="dateTime">2026-08-30T18:16:12Z</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>CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)C3C(C(C(C(O3)C(=O)O)O)O)O</moldb-smiles>
  <moldb-formula>C23H26F3NO7</moldb-formula>
  <moldb-inchi>InChI=1S/C23H26F3NO7/c1-27(21-19(30)17(28)18(29)20(34-21)22(31)32)12-11-16(13-5-3-2-4-6-13)33-15-9-7-14(8-10-15)23(24,25)26/h2-10,16-21,28-30H,11-12H2,1H3,(H,31,32)/t16?,17-,18-,19+,20-,21+/m0/s1</moldb-inchi>
  <moldb-inchikey>ROQAUFRWFXOLOE-FEKBJPIOSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">485.1661367</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.5</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>CHEM331877</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,6r)-3,4,5-trihydroxy-6-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]oxane-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>CED0286448</sync-id>
  <structure-inchikey>ROQAUFRWFXOLOE-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000020000000000800000002000000000000000000000000000000000000000000000000000200000000000000104000010000000000000000000000000000000220000000000000000000000000020808000080300000202001000000000000000014000000000000000004100000000000000000080800000000000100004000040000000800000000100000000100000000100000000000000480000000000000000000000000400080000000040010000040000000100000001000000000000000400000000000000000000408000000000000000000300400000000000000000000000000440000000000444800001000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJAAAAIABBgBgAAAAAQMHACAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:37:33Z</structure-indexed-at>
</compound>
