Chem
J-GLOBAL ID：200907050564239507   Nikkaji number：J1.207.587A

(4S)-3-Carboxylato-5β-(2-oxoethyl)-6α-(β-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-4β-acetic acidanion

(4S)-3-カルボキシラト-5β-(2-オキソエチル)-6α-(β-D-グルコピラノシルオキシ)-5,6-ジヒドロ-4H-ピラン-4β-酢酸アニオン
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： C16H20O10[O-]2
Molecular formula furigana： C16-H20-O12
Molecular weight： 404.325
InChI： InChI=1S/C16H22O12/c17-2-1-6-7(3-10(19)20)8(14(24)25)5-26-15(6)28-16-13(23)12(22)11(21)9(4-18)27-16/h2,5-7,9,11-13,15-16,18,21-23H,1,3-4H2,(H,19,20)(H,24,25)/p-2/t6-,7+,9-,11-,12+,13-,15+,16+/m1/s1
InChI key： RTWZLQJVPKBFNH-GRTPNEQMSA-L
SMILES： OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H](CC(=O)[O-])[C@H]2CC=O)C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • (4S)-3-カルボキシラト-5β-(2-オキソエチル)-6α-(β-D-グルコピラノシルオキシ)-5,6-ジヒドロ-4H-ピラン-4β-酢酸アニオン
  • (2S,3R,4S)-4-(カルボキシラトメチル)-3-(2-オキソエチル)-2-{[(2S,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}-3,4-ジヒドロ-2H-ピラン-5-カルボキシラート
  • (2S,3R,4S)-4-(carboxylatomethyl)-3-(2-oxoethyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-5-carboxylate
Other name (1)：
  • (4S)-3-Carboxylato-5β-(2-oxoethyl)-6α-(β-D-glucopyranosyloxy)-5,6-dihydro-4H-pyran-4β-acetic acidanion
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