[(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 C21H12O12
IUPAC Name (4r)-3-[6-(2-hydroxyethynyl)-3,5-dioxo-1,4-dioxepin-2-yl]-13-methylene-2,10-bis(oxomethylene)-5,11-dioxaspiro[3.9]tridecane-7,8,9-trione
Molecular Mass 456.313 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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