1,5-Anhydro-2-O-(3,4,5-Trihydroxybenzoyl)-D-Glucitol

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Formula C13H16O9
IUPAC Name [(3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate
Molecular Mass 316.261 g·mol−1
Heat of Formation -1516.4 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 337.46 Å 3
Surface Area 306.68 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey JSUKXSPCKOKNJD-RBLKWDMZSA-N
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Elements H C O