5-Hydroxy-6,8-Dimethyl-4-Oxo-2-Phenyl-4H-Chromen-7-Yl 6-O-(4-Carboxy-3-Hydroxy-3-Methylbutanoyl)-β-D-Threo-Hexopyranoside

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Properties Simple | Detailed

Formula C29H32O13
IUPAC Name (3r)-3-hydroxy-3-methyl-5-oxo-5-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-(5-hydroxy-6,8-dimethyl-4-oxo-2-phenyl-chromen-7-yl)oxy-tetrahydropyran-2-yl]methoxy]pentanoic acid
Molecular Mass 588.557 g·mol−1
Heat of Formation 1737.0 ± 16.7 kJ·mol−1
Dipole Moment 11.78 ± 1.08 D
Volume 557.72 Å 3
Surface Area 478.46 Å 2
HOMO Energy -9.73 ± 0.55 eV
LUMO Energy -3.05 ± eV
Point Group Symmetry C1
InChIKey KMYUBNLNPRIIHP-UFQGYGRQSA-N
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Elements C O