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

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Properties Simple | Detailed

Formula C21H22O9
IUPAC Name (3r)-3-(4-hydroxyphenyl)-7-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chroman-4-one
Molecular Mass 418.394 g·mol−1
Heat of Formation -1390.5 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 462.4 Å 3
Surface Area 400.09 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey KKJXSJGKUZBVIH-SFTVRKLSSA-N
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Elements H C O