3-O-Methyl-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C7H14O6
IUPAC Name (2r,3r,4s,5r,6r)-6-(hydroxymethyl)-4-methoxy-tetrahydropyran-2,3,5-triol
Molecular Mass 194.182 g·mol−1
Heat of Formation -1121.0 ± 16.7 kJ·mol−1
Dipole Moment 3.13 ± 1.08 D
Volume 217.75 Å 3
Surface Area 204.78 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r,6r)-4-methoxy-6-methylol-tetrahydropyran-2,3,5-triol
  • (2r,3r,4s,5r,6r)-6-(hydroxymethyl)-4-methoxy-oxane-2,3,5-triol
  • (2r,3r,4s,5r,6r)-6-(hydroxymethyl)-4-methoxy-tetrahydropyran-2,3,5-triol
  • (2r,3r,4s,5r,6r)-6-(hydroxymethyl)-4-methoxyoxane-2,3,5-triol
  • (2r,3r,4s,5r,6r)-6-(hydroxymethyl)-4-methoxytetrahydropyran-2,3,5-triol
InChIKey SCBBSJMAPKXHAH-BNWJMWRWSA-N
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