3,4,6-Tri-O-Acetyl-D-Glucal

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Properties Simple | Detailed

Formula C12H16O7
IUPAC Name [(2s,3s,4r)-3,4-diacetoxy-3,4-dihydro-2h-pyran-2-yl]methyl acetate
Molecular Mass 272.251 g·mol−1
Heat of Formation -1269.0 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 309.09 Å 3
Surface Area 277.84 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3s,4r)-4-acetoxy-2-(acetoxymethyl)-3,4-dihydro-2h-pyran-3-yl] acetate
  • [(2s,3s,4r)-4-acetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2h-pyran-3-yl] acetate
  • [(2s,3s,4r)-4-acetyloxy-2-(acetyloxymethyl)-3,4-dihydro-2h-pyran-3-yl] ethanoate
  • acetic acid [(2s,3s,4r)-4-acetoxy-2-(acetoxymethyl)-3,4-dihydro-2h-pyran-3-yl] ester
InChIKey LLPWGHLVUPBSLP-WOPDTQHZSA-N
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