4-O-Methyl-D-Glucuronic Acid

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Properties Simple | Detailed

Formula C7H12O7
IUPAC Name (2s,3s,4r,5r)-2,4,5-trihydroxy-3-methoxy-6-oxo-hexanoic acid
Molecular Mass 208.166 g·mol−1
Heat of Formation -1241.6 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 230.39 Å 3
Surface Area 214.62 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5r)-2,4,5-trihydroxy-3-methoxy-6-oxo-hexanoic acid
  • (2s,3s,4r,5r)-2,4,5-trihydroxy-3-methoxy-6-oxohexanoic acid
  • (2s,3s,4r,5r)-2,4,5-trihydroxy-6-keto-3-methoxy-hexanoic acid
  • 4-o-methylglucuronic acid
  • glucuronic acid, 4-o-methyl-
CAS Number(s)
  • 2463-49-2
InChIKey QGGOCWIJGWDKHC-FSIIMWSLSA-N
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