[(2As,4As,5S,7Bs)-5-(β-D-Glucopyranosyloxy)-1-Oxo-2A,4A,5,7B-Tetrahydro-1H-2,6-Dioxacyclopenta[Cd]Inden-4-Yl]Methyl Acetate

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Properties Simple | Detailed

Formula C18H22O11
IUPAC Name [(2as,4as,5s,7bs)-5-(beta-d-glucopyranosyloxy)-1-oxo-2a,4a,5,7b-tetrahydro-1h-2,6-dioxacyclopenta[cd]inden-4-yl]methyl acetate
Molecular Mass 414.361 g·mol−1
Heat of Formation -1807.3 ± 16.7 kJ·mol−1
Dipole Moment 6.87 ± 1.08 D
Volume 446.25 Å 3
Surface Area 353.27 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
InChIKey IBIPGYWNOBGEMH-AGUBZPQCSA-N
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