A-Acetobromoglucose

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Properties Simple | Detailed

Formula C14H19BrO9
IUPAC Name [(2r,3r,4s,5r,6r)-3,4,5-triacetoxy-6-bromo-tetrahydropyran-2-yl]methyl acetate
Molecular Mass 411.199 g·mol−1
Heat of Formation -1716.0 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 406.49 Å 3
Surface Area 333.13 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy 3.20 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,4,6-tetra-o-acetyl-alpha-d-glucopyranosyl bromide
  • [(2r,3r,4s,5r,6r)-4,5-diacetoxy-2-(acetoxymethyl)-6-bromo-tetrahydropyran-3-yl] acetate
  • [(2r,3r,4s,5r,6r)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromo-oxan-3-yl] ethanoate
  • [(2r,3r,4s,5r,6r)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-3-yl] acetate
  • acetic acid [(2r,3r,4s,5r,6r)-4,5-diacetoxy-2-(acetoxymethyl)-6-bromo-3-tetrahydropyranyl] ester
  • acetic acid [(2r,3r,4s,5r,6r)-4,5-diacetoxy-2-(acetoxymethyl)-6-bromo-tetrahydropyran-3-yl] ester
  • acetobromglucose
  • acetobromo-alpha-d-glucose
  • alpha-d-glucopyranosyl bromide, tetraacetate
CAS Number(s)
  • 572-09-8
InChIKey CYAYKKUWALRRPA-RGDJUOJXSA-N
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Elements H C O Br