3-Hydroxy-2-(4-Hydroxybenzoyl)-5-Methoxyphenyl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C20H22O10
IUPAC Name [2-hydroxy-4-methoxy-6-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-(4-hydroxyphenyl)methanone
Molecular Mass 422.383 g·mol−1
Heat of Formation -1622.6 ± 16.7 kJ·mol−1
Dipole Moment 1.19 ± 1.08 D
Volume 471.35 Å 3
Surface Area 360.48 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
InChIKey LCZPALDWQFYTCU-LWUBGYQZSA-N
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