4-Acetyl-2-Methoxyphenyl 6-O-(4-Hydroxy-3-Methoxybenzoyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C23H26O11
IUPAC Name [(2r,3s,4s,5r,6s)-6-(4-acetyl-2-methoxy-phenoxy)-3,4,5-trihydroxy-tetrahydropyran-2-yl]methyl 4-hydroxy-3-methoxy-benzoate
Molecular Mass 478.446 g·mol−1
Heat of Formation -1696.7 ± 16.7 kJ·mol−1
Dipole Moment 3.83 ± 1.08 D
Volume 549.34 Å 3
Surface Area 404.71 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey BJONPLWCFOWHSD-ZFVIQDPVSA-N
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Elements H C O