2,3-Di-O-Methyl-β-D-Glucopyranuronic Acid

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Properties Simple | Detailed

Formula C8H14O7
IUPAC Name (2s,3s,4s,5r,6r)-3,6-dihydroxy-4,5-dimethoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 222.193 g·mol−1
Heat of Formation -1250.7 ± 16.7 kJ·mol−1
Dipole Moment 1.61 ± 1.08 D
Volume 243.85 Å 3
Surface Area 228.08 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-3,6-dihydroxy-4,5-dimethoxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4s,5r,6r)-3,6-dihydroxy-4,5-dimethoxy-oxane-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-3,6-dihydroxy-4,5-dimethoxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4s,5r,6r)-3,6-dihydroxy-4,5-dimethoxyoxane-2-carboxylic acid
  • gu1
InChIKey YEGNNGDFCAGXPA-GRJZWZNASA-N
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