[(1R,2S,3R,5R,6R,8S)-6-Hydroxy-3-{[6-O-(4-Hydroxybenzoyl)-β-D-Glucopyranosyl]Oxy}-8-Methyl-9,10-Dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]Dec-2-Yl]Methyl 4-Hydroxybenzoate
Properties
| Property | Value |
|---|---|
| Formula | C30H32O14 |
| IUPAC Name | [(1r,2s,3r,5r,6r,8s)-6-hydroxy-3-{[6-o-(4-hydroxybenzoyl)-β-d-glucopyranosyl]oxy}-8-methyl-9,10-dioxatetracyclo[4.3.1.0 2,5 .0 3,8 ]dec-2-yl]methyl 4-hydroxybenzoate |
| Molecular Mass | 616.567 g·mol−1 |
| Heat of Formation | -2216.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.11 ± 1.08 D |
| Volume | 680.11 Å 3 |
| Surface Area | 535.34 Å 2 |
| HOMO Energy | -9.67 ± 0.55 eV |
| LUMO Energy | 2.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ICDRIPCQQSUIDZ-HRCYFWENSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |