Methyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C7H12O7
IUPAC Name (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 208.166 g·mol−1
Heat of Formation -1264.9 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 223.87 Å 3
Surface Area 212.86 Å 2
HOMO Energy -10.54 ± 0.55 eV
LUMO Energy 3.36 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methoxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methoxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methoxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-methoxyoxane-2-carboxylic acid
  • beta-d-glucopyranosiduronic acid, methyl-
  • methyl-beta-d-glucopyranosiduronic acid
  • mgpsu
CAS Number(s)
  • 4356-84-7
InChIKey BOFXVYGDIRCHEQ-GHQVIJFQSA-N
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