6-O-(2-Carboxybenzoyl)-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C14H16O9
IUPAC Name 2-[[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxycarbonyl]benzoic acid
Molecular Mass 328.271 g·mol−1
Heat of Formation -1573.1 ± 16.7 kJ·mol−1
Dipole Moment 5.95 ± 1.08 D
Volume 346.21 Å 3
Surface Area 294.15 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxycarbonyl]benzoic acid
  • 2-[oxo-[[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxy-2-tetrahydropyranyl]methoxy]methyl]benzoic acid
  • cellulose, hydrogen 1,2-benzenedicarboxylate
  • cellulose, hydrogen phthalate
CAS Number(s)
  • 9004-44-8
  • 59355-50-9
InChIKey TXZSUUPEIZWNOL-YNXVLUOKSA-N
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