[(1R,2S,3R,5R,6R,8S)-3-(β-D-Glucopyranosyloxy)-6-Hydroxy-8-Methyl-9,10-Dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]Dec-2-Yl]Methyl 4-Hydroxybenzoate

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Properties Simple | Detailed

Formula C23H28O12
IUPAC Name [(1r,2s,3r,5r,6r,8s)-3-(beta-d-glucopyranosyloxy)-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0 2,5 .0 3,8 ]dec-2-yl]methyl 4-hydroxybenzoate
Molecular Mass 496.461 g·mol−1
Heat of Formation -1971.4 ± 16.7 kJ·mol−1
Dipole Moment 2.39 ± 1.08 D
Volume 546.17 Å 3
Surface Area 437.97 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey FCHVXNVDFYXLIL-WRJNSLSBSA-N
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