Chem
J-GLOBAL ID：200907082558692576   Nikkaji number：J505.803A

1-(Phenylthio)-1-deoxy-β-D-glucopyranuronic acid

1-デオキシ-1-(フェニルチオ)-β-D-グルコピラヌロン酸
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： C12H14O6S
Molecular formula furigana： C12-H14-O6-S
Molecular weight： 286.300
InChI： InChI=1S/C12H14O6S/c13-7-8(14)10(11(16)17)18-12(9(7)15)19-6-4-2-1-3-5-6/h1-5,7-10,12-15H,(H,16,17)/t7-,8-,9+,10-,12-/m0/s1
InChI key： XXJOOMMTHULGSD-LIJGXYGRSA-N
SMILES： O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(=O)O)Sc1ccccc1
Systematic name  (4)：
  • 1-デオキシ-1-(フェニルチオ)-β-D-グルコピラヌロン酸
  • 1-(フェニルチオ)-1-デオキシ-β-D-グルコピラヌロン酸
  • (2S,3S,4S,5R,6S)-3,4,5-トリヒドロキシ-6-(フェニルスルファニル)オキサン-2-カルボン酸
  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(phenylsulfanyl)oxane-2-carboxylic acid
Other name (2)：
  • 1-Deoxy-1-(phenylthio)-β-D-glucopyranuronic acid
  • 1-(Phenylthio)-1-deoxy-β-D-glucopyranuronic acid
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