1-O-(2-Acetoxybenzoyl)-2-Deoxy-β-D-Arabino-Hexopyranose

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Properties Simple | Detailed

Formula C15H18O8
IUPAC Name [(2s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2-acetoxybenzoate
Molecular Mass 326.299 g·mol−1
Heat of Formation -1380.2 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 363.82 Å 3
Surface Area 312.05 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • 1-o-(2'-acetoxy)benzoyl-alpha-d-2-deoxyglucopyranose
  • 1-o-(2'-acetoxy)benzoyl-alpha-deoxyglucopyronse
  • 2-acetoxybenzoic acid [(2s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester
  • 2-acetoxybenzoic acid [(2s,4r,5s,6r)-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl] ester
  • 2-deoxy-alpha-d-arabino-hexopyranose 1-(2-(acetyloxy)benzoate)
  • [(2s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-acetyloxybenzoate
  • [(2s,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 2-acetoxybenzoate
CAS Number(s)
  • 70206-30-3
InChIKey GMOLLSCULBTFSI-ZZVYKPCYSA-N
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