{(1R,2S,3R,5R,6R,8S)-3-[(6-O-Benzoyl-β-D-Glucopyranosyl)Oxy]-6-Hydroxy-8-Methyl-9,10-Dioxatetracyclo[4.3.1.0~2,5~.0~3,8~]Dec-2-Yl}Methyl Benzoate
Properties
| Property | Value |
|---|---|
| Formula | C30H32O12 |
| IUPAC Name | {(1r,2s,3r,5r,6r,8s)-3-[(6-o-benzoyl-β-d-glucopyranosyl)oxy]-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.0 2,5 .0 3,8 ]dec-2-yl}methyl benzoate |
| Molecular Mass | 584.568 g·mol−1 |
| Heat of Formation | -1827.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.68 ± 1.08 D |
| Volume | 658.5 Å 3 |
| Surface Area | 517.59 Å 2 |
| HOMO Energy | -10.21 ± 0.55 eV |
| LUMO Energy | 2.30 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LATYEZNGPQKAIK-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 |