Chem
J-GLOBAL ID：200907012371253783   Nikkaji number：J2.664.384H

5-(Trifluoroacetylamino)pentyl 4-O-β-D-galactopyranosyl-2-(acetylamino)-2-deoxy-β-D-glucopyranoside

5-(トリフルオロアセチルアミノ)ペンチル4-O-β-D-ガラクトピラノシル-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H35F3N2O12
Molecular formula furigana： C21-H35-F3-N2-O12
Molecular weight： 564.508
InChI： InChI=1S/C21H35F3N2O12/c1-9(29)26-12-14(31)17(38-19-16(33)15(32)13(30)10(7-27)36-19)11(8-28)37-18(12)35-6-4-2-3-5-25-20(34)21(22,23)24/h10-19,27-28,30-33H,2-8H2,1H3,(H,25,34)(H,26,29)/t10-,11-,12-,13+,14-,15+,16-,17-,18-,19+/m1/s1
InChI key： NFOIMBQEWPNQSB-IIPQWQSDSA-N
SMILES： CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OCCCCCNC(=O)C(F)(F)F
Systematic name  (3)：
  • 5-(トリフルオロアセチルアミノ)ペンチル4-O-β-D-ガラクトピラノシル-2-(アセチルアミノ)-2-デオキシ-β-D-グルコピラノシド
  • N-(5-{[(2R,3R,4R,5S,6R)-3-アセトアミド-4-ヒドロキシ-6-(ヒドロキシメチル)-5-{[(2S,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}ペンチル)-2,2,2-トリフルオロアセトアミド
  • N-(5-{[(2R,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}pentyl)-2,2,2-trifluoroacetamide
Other name (1)：
  • 5-(Trifluoroacetylamino)pentyl 4-O-β-D-galactopyranosyl-2-(acetylamino)-2-deoxy-β-D-glucopyranoside
Thsaurus map：
Thesaurus Map

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