Chem
J-GLOBAL ID：200907064319440583   Nikkaji number：J851.293K

4-O-[4-O-(α-D-Glucopyranosyl)-α-D-glucopyranosyl]-D-gluconic acid 1,5-lactone

4-O-[4-O-(α-D-グルコピラノシル)-α-D-グルコピラノシル]-D-グルコン酸1,5-ラクトン
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： C18H30O16
Molecular formula furigana： C18-H30-O16
Molecular weight： 502.422
InChI： InChI=1S/C18H30O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-15,17-28H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,17-,18-/m1/s1
InChI key： OJYJVXIGXVWXKV-IVJVVCOPSA-N
SMILES： OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(=O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 4-O-[4-O-(α-D-グルコピラノシル)-α-D-グルコピラノシル]-D-グルコン酸1,5-ラクトン
  • (3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(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}オキサン-2-イル]オキシ}-3,4-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-オン
  • (3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-one
Other name (1)：
  • 4-O-[4-O-(α-D-Glucopyranosyl)-α-D-glucopyranosyl]-D-gluconic acid 1,5-lactone
Thsaurus map：
Thesaurus Map

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