Chem
J-GLOBAL ID：201507020462421477   Nikkaji number：J3.399.835J

1-(2-Carboxyphenyl)-D-glucopyranose 1,1-lactone

1-(2-カルボキシフェニル)-D-グルコピラノース1,1-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： C13H14O7
Molecular formula furigana： C13-H14-O7
Molecular weight： 282.248
InChI： InChI=1S/C13H14O7/c14-5-8-9(15)10(16)11(17)13(19-8)7-4-2-1-3-6(7)12(18)20-13/h1-4,8-11,14-17H,5H2/t8-,9-,10+,11-,13?/m1/s1
InChI key： SQXQEMFRBLVULR-TWEVDUBQSA-N
SMILES： OC[C@H]1OC2(OC(=O)c3ccccc23)[C@H](O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 1-(2-カルボキシフェニル)-D-グルコピラノース1,1-ラクトン
  • (3'R,4'S,5'S,6'R)-3',4',5'-トリヒドロキシ-6'-(ヒドロキシメチル)-3H-スピロ[2-ベンゾフラン-1,2'-オキサン]-3-オン
  • (3'R,4'S,5'S,6'R)-3',4',5'-trihydroxy-6'-(hydroxymethyl)-3H-spiro[2-benzofuran-1,2'-oxan]-3-one
Other name (1)：
  • 1-(2-Carboxyphenyl)-D-glucopyranose 1,1-lactone
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