{(1R,2S,3R,5R,6R,8S)-3-[(6-O-Benzoyl-β-D-Glucopyranosyl)Oxy]-6-Hydroxy-8-Methyl-9,10-Dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]Dec-2-Yl}Methyl Benzoate

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Properties Simple | Detailed

Formula C21H16O12
IUPAC Name carbon dioxide; 6-(hydroperoxymethyl)tetrahydropyran-2,3,4,5-tetrone; [(3r)-3-(2-hydroxyethynyl)-4-methylene-cyclopentylidene]methanone; (2-methylenecyclopropylidene)methanone
Molecular Mass 460.345 g·mol−1
Heat of Formation -1827.5 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 658.5 Å 3
Surface Area 517.59 Å 2
HOMO Energy -10.21 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
InChIKey LATYEZNGPQKAIK-HRCYFWENSA-N
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