4-O-Methyl-α-D-Glucopyranuronic Acid

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Properties Simple | Detailed

Formula C7H12O7
IUPAC Name (2s,3s,4r,5r,6s)-4,5,6-trihydroxy-3-methoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 208.166 g·mol−1
Heat of Formation -1292.1 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 224.3 Å 3
Surface Area 209.03 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r,6s)-4,5,6-trihydroxy-3-methoxy-2-tetrahydropyrancarboxylic acid
  • (2s,3s,4r,5r,6s)-4,5,6-trihydroxy-3-methoxy-oxane-2-carboxylic acid
  • (2s,3s,4r,5r,6s)-4,5,6-trihydroxy-3-methoxy-tetrahydropyran-2-carboxylic acid
  • (2s,3s,4r,5r,6s)-4,5,6-trihydroxy-3-methoxyoxane-2-carboxylic acid
  • 4-o-methyl-alpha-d-glucuronic acid
  • gcv
InChIKey WGLLPAPKWFDHHV-NRGGUMNKSA-N
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