Methyl 2,3,4-Tri-O-Acetyl-α-D-Glucopyranoside

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Properties Simple | Detailed

Formula C13H20O9
IUPAC Name [(2r,3r,4s,5r,6s)-4,5-diacetoxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl] acetate
Molecular Mass 320.293 g·mol−1
Heat of Formation -1679.8 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 365.57 Å 3
Surface Area 306.54 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy 0.43 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl] acetate
  • [(2r,3r,4s,5r,6s)-3,5-diacetyloxy-2-(hydroxymethyl)-6-methoxy-oxan-4-yl] ethanoate
  • [(2r,3r,4s,5r,6s)-3,5-diacetyloxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] acetate
  • acetic acid [(2r,3r,4s,5r,6s)-3,5-diacetoxy-2-(hydroxymethyl)-6-methoxy-4-tetrahydropyranyl] ester
  • acetic acid [(2s,3r,4s,5r,6r)-3,5-diacetoxy-2-methoxy-6-methylol-tetrahydropyran-4-yl] ester
InChIKey OBVFJYUDIWPVKD-LBELIVKGSA-N
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