4-Hydroxyphenyl 6-O-(4-Hydroxybenzoyl)-2-O-(3,4,5-Trihydroxybenzoyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C26H24O13
IUPAC Name [(2s,3r,4s,5s,6r)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)tetrahydropyran-3-yl] 3,4,5-trihydroxybenzoate
Molecular Mass 544.461 g·mol−1
Heat of Formation -2013.0 ± 16.7 kJ·mol−1
Dipole Moment 3.95 ± 1.08 D
Volume 584.32 Å 3
Surface Area 455.9 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
InChIKey LIANLIDDEFJTSX-XZWSAFPPSA-N
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Elements H C O