[(1R,4R)-1-(β-D-Glucopyranosyloxy)-4-Hydroxy-6-Methyl-8-Oxo-7-Oxatricyclo[4.3.0.0~3,9~]Non-9-Yl]Methyl Benzoate

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Properties Simple | Detailed

Formula C23H28O11
IUPAC Name [1-(beta-d-glucopyranosyloxy)-4-hydroxy-6-methyl-8-oxo-7-oxatricyclo[4.3.0.0 3,9 ]non-9-yl]methyl benzoate
Molecular Mass 480.462 g·mol−1
Heat of Formation -1797.0 ± 16.7 kJ·mol−1
Dipole Moment 7.18 ± 1.08 D
Volume 531.3 Å 3
Surface Area 405.89 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey QQUHMASGPODSIW-RTWIXYJNSA-N
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