2-[(2-O-Benzoyl-β-D-Glucopyranosyl)Oxy]Benzyl 1-Hydroxy-6-Oxo-2-Cyclohexene-1-Carboxylate

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Properties Simple | Detailed

Formula C27H10O11
IUPAC Name 2-[(2-o-benzoyl-β-d-glucopyranosyl)oxy]benzyl 1-hydroxy-6-oxo-2-cyclohexene-1-carboxylate
Molecular Mass 510.362 g·mol−1
Heat of Formation 1494.7 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 493.16 Å 3
Surface Area 404.22 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -3.25 ± eV
Point Group Symmetry C1
InChIKey RCKCYCDBDYUIGM-KSLQMBNTSA-N
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Elements C O