2-O-Methyl-D-Glucuronic Acid

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Properties Simple | Detailed

Formula C7H12O7
IUPAC Name (2s,3s,4s,5r)-2,3,4-trihydroxy-5-methoxy-6-oxo-hexanoic acid
Molecular Mass 208.166 g·mol−1
Heat of Formation -1250.3 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 230.7 Å 3
Surface Area 212.39 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 3.26 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r)-2,3,4-trihydroxy-5-methoxy-6-oxo-hexanoic acid
  • (2s,3s,4s,5r)-2,3,4-trihydroxy-5-methoxy-6-oxohexanoic acid
  • (2s,3s,4s,5r)-2,3,4-trihydroxy-6-keto-5-methoxy-hexanoic acid
  • d-glucuronic acid, 2-o-methyl-
CAS Number(s)
  • 59894-02-9
InChIKey HCQISUFWFYMWKK-FSIIMWSLSA-N
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Elements H C O