6-O-Acetylglucose

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Properties Simple | Detailed

Formula C8H14O7
IUPAC Name [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxo-hexyl] acetate
Molecular Mass 222.193 g·mol−1
Heat of Formation -1314.8 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 246.11 Å 3
Surface Area 225.51 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxo-hexyl] acetate
  • [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxo-hexyl] ethanoate
  • [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexyl] acetate
  • acetic acid [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-keto-hexyl] ester
  • acetic acid [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexyl] ester
InChIKey VFPUCPVAZOMVLI-LXGUWJNJSA-N
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