2-(β-D-Glucopyranosyloxy)Benzyl 1-Hydroxy-6-Oxo-2-Cyclohexene-1-Carboxylate

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Properties Simple | Detailed

Formula C20H24O10
IUPAC Name [2-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]methyl (1r)-1-hydroxy-6-oxo-cyclohex-2-ene-1-carboxylate
Molecular Mass 424.399 g·mol−1
Heat of Formation -1687.7 ± 16.7 kJ·mol−1
Dipole Moment 4.87 ± 1.08 D
Volume 467.9 Å 3
Surface Area 344.96 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
InChIKey CZDNLUMNELLDDD-ORRCJIOJSA-N
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Elements H C O