4-O-Methyl-β-D-Glucopyranuronic Acid

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Properties Simple | Detailed

Formula C7H12O7
IUPAC Name (2s,3s,4r,5r,6r)-4,5,6-trihydroxy-3-methoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 208.166 g·mol−1
Heat of Formation -1272.6 ± 16.7 kJ·mol−1
Dipole Moment 0.73 ± 1.08 D
Volume 225.84 Å 3
Surface Area 212.38 Å 2
HOMO Energy -10.37 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r,6r)-4,5,6-trihydroxy-3-methoxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4r,5r,6r)-4,5,6-trihydroxy-3-methoxy-oxane-2-carboxylic acid
  • (2s,3s,4r,5r,6r)-4,5,6-trihydroxy-3-methoxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4r,5r,6r)-4,5,6-trihydroxy-3-methoxyoxane-2-carboxylic acid
  • 4-o-methyl-beta-d-glucuronic acid
  • gcw
InChIKey WGLLPAPKWFDHHV-RLZVPWTLSA-N
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