4-(3-Oxobutyl)Phenyl 6-O-(3,4,5-Trihydroxybenzoyl)-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C23H26O11
IUPAC Name [(2r,3s,4s,5s,6s)-3,4,5-trihydroxy-6-[4-(3-oxobutyl)phenoxy]tetrahydropyran-2-yl]methyl 3,4,5-trihydroxybenzoate
Molecular Mass 478.446 g·mol−1
Heat of Formation -1817.2 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 543.19 Å 3
Surface Area 421.81 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey BJYRNIFAMMOVGW-ZNCFPDGUSA-N
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Elements H C O