3-O-[(2E)-3-(3,4,5-Trimethoxyphenyl)-2-Propenoyl]-β-D-Fructofuranosyl 6-O-(4-Hydroxybenzoyl)-Alpha-D-Glucopyranoside
Properties
Property | Value |
---|---|
Formula | C31H38O17 |
IUPAC Name | [(2r,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(2s,3s,4r,5r)-4-hydroxy-2,5-bis(hydroxymethyl)-3-[(e)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy-tetrahydrofuran-2-yl]oxy-tetrahydropyran-2-yl]methyl 4-hydroxybenzoate |
Molecular Mass | 682.623 g·mol−1 |
Heat of Formation | -2894.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.37 ± 1.08 D |
Volume | 734.45 Å 3 |
Surface Area | 483.67 Å 2 |
HOMO Energy | -9.19 ± 0.55 eV |
LUMO Energy | 2.05 ± eV |
Point Group Symmetry | C1 |
InChIKey | BBUQNXDJRVCZTI-FNUXIAMKSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |