Methyl (2S,3E,4S)-3-Ethylidene-2-{[(4Xi)-6-O-(β-D-Glucopyranosyl)-β-D-Xylo-Hexopyranosyl]Oxy}-4-(2-Methoxy-2-Oxoethyl)-3,4-Dihydro-2H-Pyran-5-Carboxylate

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Properties Simple | Detailed

Formula C24H36O16
IUPAC Name methyl (4s,5e,6s)-5-ethylidene-4-(2-methoxy-2-oxo-ethyl)-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-4h-pyran-3-carboxylate
Molecular Mass 580.533 g·mol−1
Heat of Formation -2854.2 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 655.11 Å 3
Surface Area 471.16 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
InChIKey KIYJRYWOZVDCRC-MNZDEVFGSA-N
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Elements H C O