Chem
J-GLOBAL ID：200907097568822416   Nikkaji number：J1.672.535H

(3R,5R)-3-(β-D-Glucopyranosyloxy)-5-hydroxyhexanoic acid methyl ester

(3R,5R)-3-(β-D-グルコピラノシルオキシ)-5-ヒドロキシヘキサン酸メチル
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： C13H24O9
Molecular formula furigana： C13-H24-O9
Molecular weight： 324.326
InChI： InChI=1S/C13H24O9/c1-6(15)3-7(4-9(16)20-2)21-13-12(19)11(18)10(17)8(5-14)22-13/h6-8,10-15,17-19H,3-5H2,1-2H3/t6-,7-,8-,10-,11+,12-,13-/m1/s1
InChI key： VYMPNVIBXBAUDP-GPUWSTGFSA-N
SMILES： COC(=O)C[C@@H](C[C@@H](C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • (3R,5R)-3-(β-D-グルコピラノシルオキシ)-5-ヒドロキシヘキサン酸メチル
  • メチル (3R,5R)-5-ヒドロキシ-3-{[(2R,3R,4S,5S,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}ヘキサノアート
  • methyl (3R,5R)-5-hydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanoate
Other name (1)：
  • (3R,5R)-3-(β-D-Glucopyranosyloxy)-5-hydroxyhexanoic acid methyl ester
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