Chem
J-GLOBAL ID：200907063747392317   Nikkaji number：J1.846.155B

Cellobionic acid

セロビオン酸
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： C12H22O12
Molecular formula furigana： C12-H22-O12
Molecular weight： 358.296
InChI： InChI=1S/C12H22O12/c13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h3-10,12-20H,1-2H2,(H,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,12+/m1/s1
InChI key： JYTUSYBCFIZPBE-ZNLUKOTNSA-N
SMILES： OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(=O)O
Systematic name  (4)：
  • 4-O-β-D-グルコピラノシル-D-グルコン酸
  • 4-O-(β-D-グルコピラノシル)-D-gluco-ヘキソン酸
  • (2R,3R,4R,5R)-2,3,5,6-テトラヒドロキシ-4-{[(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}ヘキサン酸
  • (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanoic acid
Other name (4)：
  • 4-O-β-D-Glucopyranosyl-D-gluconic acid
  • セロビオン酸
  • Cellobionic acid
  • 4-O-(β-D-Glucopyranosyl)-D-gluco-hexonic acid
CAS registry number： 534-41-8
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