Chem
J-GLOBAL ID:200907050087919509   Nikkaji number:J716.160C

2-Benzothiazolylthio β-D-glucopyranosiduronic acid

2-ベンゾチアゾリルチオβ-D-グルコピラノシドウロン酸
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: C13H13NO7S2
Molecular formula furigana: C13-H13-N-O7-S2
Molecular weight: 359.370
InChI: InChI=1S/C13H13NO7S2/c15-7-8(16)10(11(18)19)20-12(9(7)17)21-23-13-14-5-3-1-2-4-6(5)22-13/h1-4,7-10,12,15-17H,(H,18,19)/t7-,8-,9+,10-,12-/m0/s1
InChI key: LLPKZINCEIOFCD-LIJGXYGRSA-N
SMILES: O[C@H]1[C@H](OSc2nc3ccccc3s2)O[C@@H]([C@@H](O)[C@@H]1O)C(=O)O
Systematic name  (3):
  • 2-ベンゾチアゾリルチオβ-D-グルコピラノシドウロン酸
  • (2S,3S,4S,5R,6S)-6-[(1,3-ベンゾチアゾール-2-イルスルファニル)オキシ]-3,4,5-トリヒドロキシオキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-6-[(1,3-benzothiazol-2-ylsulfanyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Other name (1):
  • 2-Benzothiazolylthio β-D-glucopyranosiduronic acid
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