2,3-Di-O-Methyl-α-L-Idopyranuronic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C8H14O7
IUPAC Name (2r,3s,4s,5r,6r)-3,6-dihydroxy-4,5-dimethoxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 222.193 g·mol−1
Heat of Formation -1266.0 ± 16.7 kJ·mol−1
Dipole Moment 2.23 ± 1.08 D
Volume 248.29 Å 3
Surface Area 229.2 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5r,6r)-3,6-dihydroxy-4,5-dimethoxy-2-tetrahydropyrancarboxylic acid
  • (2r,3s,4s,5r,6r)-3,6-dihydroxy-4,5-dimethoxy-oxane-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3,6-dihydroxy-4,5-dimethoxy-tetrahydropyran-2-carboxylic acid
  • (2r,3s,4s,5r,6r)-3,6-dihydroxy-4,5-dimethoxyoxane-2-carboxylic acid
  • gu2
InChIKey YEGNNGDFCAGXPA-XLIHNKEPSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O