2,5-Bis-O-(2-Acetoxybenzoyl)-1,4:3,6-Dianhydro-D-Glucitol

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Properties Simple | Detailed

Formula C23H16O10
IUPAC Name formaldehyde; 5-(6-oxofuro[3,2-b]furan-3-yl)oxy-5h-1,4-benzodioxepin-2-one; 6-(oxomethylene)cyclohexa-2,4-dien-1-one
Molecular Mass 452.367 g·mol−1
Heat of Formation -1523.0 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 514.87 Å 3
Surface Area 437.98 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2-acetoxybenzoic acid [(3s,3ar,6r,6ar)-6-(2-acetoxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] ester
  • 2-acetoxybenzoic acid [(3s,3ar,6r,6ar)-6-[(2-acetoxyphenyl)-oxomethoxy]-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] ester
  • [(3s,3ar,6r,6ar)-6-(2-acetoxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] 2-acetoxybenzoate
  • [(3s,3ar,6r,6ar)-6-(2-acetyloxybenzoyl)oxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] 2-acetyloxybenzoate
  • [(3s,3ar,6r,6ar)-6-(2-acetyloxyphenyl)carbonyloxy-2,3,3a,5,6,6a-hexahydrofuro[2,3-d]furan-3-yl] 2-acetyloxybenzoate
InChIKey HUDBTWVKIKXIGG-CIAFKFPVSA-N
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