2-Oxo-2H-Chromen-7-Yl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C15H14O9
IUPAC Name (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 338.266 g·mol−1
Heat of Formation -1391.8 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 353.9 Å 3
Surface Area 318.79 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-ketochromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(2-oxochromen-7-yl)oxyoxane-2-carboxylic acid
  • (2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2-oxo-7-chromenyl)oxy]-2-tetrahydropyrancarboxylic acid
  • 2-oxo-2h-1-benzopyran-7-yl beta-d-glucopyranosiduronic acid
  • 7-hydroxycoumarin glucuronide
  • 7-hydroxycoumarin o(7)-glucosiduronic acid
  • 7-hydroxycoumarin o-glucuronide
  • beta-d-glucopyranosiduronic acid, 2-oxo-2h-1-benzopyran-7-yl
CAS Number(s)
  • 66695-14-5
InChIKey PRYLPCLGPXGILY-DKBOKBLXSA-N
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