4-(4,7-Dihydroxy-2-Oxo-2H-Chromen-3-Yl)-3-Hydroxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C21H21O11+
IUPAC Name 4,7-dihydroxy-3-[2-hydroxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]chromen-2-one
Molecular Mass 449.385 g·mol−1
Heat of Formation -1720.4 ± 16.7 kJ·mol−1
Dipole Moment 7.34 ± 1.08 D
Volume 471.31 Å 3
Surface Area 408.29 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
InChIKey OEZWCAHAQBRTTP-FKRBRYKNSA-N
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Elements H C O