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

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Properties Simple | Detailed

Formula C27H29O14+
IUPAC Name (3r)-3-hydroxy-3-methyl-5-oxo-5-[[(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-chromen-7-yl]oxy-tetrahydropyran-2-yl]methoxy]pentanoic acid
Molecular Mass 577.511 g·mol−1
Heat of Formation -2354.0 ± 16.7 kJ·mol−1
Dipole Moment 5.81 ± 1.08 D
Volume 640.65 Å 3
Surface Area 485.63 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
InChIKey WWGLAVUKYJELNJ-YRDLWYDGSA-N
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Elements H C O