2-[(2-O-Benzoyl-β-D-Glucopyranosyl)Oxy]-3-Hydroxybenzyl 1-Hydroxy-6-Oxo-2-Cyclohexene-1-Carboxylate
Properties
Property | Value |
---|---|
Formula | C27H28O12 |
IUPAC Name | [(2s,3r,4s,5s,6r)-4,5-dihydroxy-2-[2-hydroxy-6-[[(1r)-1-hydroxy-6-oxo-cyclohex-2-ene-1-carbonyl]oxymethyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3-yl] benzoate |
Molecular Mass | 544.504 g·mol−1 |
Heat of Formation | -1842.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.53 ± 1.08 D |
Volume | 603.11 Å 3 |
Surface Area | 456.92 Å 2 |
HOMO Energy | -9.20 ± 0.55 eV |
LUMO Energy | -0.89 ± eV |
Point Group Symmetry | C1 |
InChIKey | KAXLSURJPZQJPA-SOCDOTEOSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |