5-Hydroxy-2-(4-Hydroxy-3-Methoxyphenyl)-7-Methoxy-4-Oxo-4H-Chromen-3-Yl 6-O-(4-Carboxy-3-Hydroxy-3-Methylbutanoyl)Hexopyranoside

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Properties Simple | Detailed

Formula C29H32O16
IUPAC Name (3r)-3-hydroxy-3-methyl-5-oxo-5-[[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-7-methoxy-4-oxo-chromen-3-yl]oxy-tetrahydropyran-2-yl]methoxy]pentanoic acid
Molecular Mass 636.555 g·mol−1
Heat of Formation -2691.8 ± 16.7 kJ·mol−1
Dipole Moment 2.43 ± 1.08 D
Volume 679.59 Å 3
Surface Area 527.82 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 1.86 ± eV
Point Group Symmetry C1
InChIKey ZPMHWGODKDJELN-BIMZHHFASA-N
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Elements H C O