[(2As,4As,5S,7Bs)-5-(β-D-Glucopyranosyloxy)-1-Oxo-2A,4A,5,7B-Tetrahydro-1H-2,6-Dioxacyclopenta[Cd]Inden-4-Yl]Methyl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C18H22O11 |
| IUPAC Name | [(4s,7s,8r,11s)-2-oxo-8-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-3,9-dioxatricyclo[5.3.1.04,11]undeca-1(10),5-dien-6-yl]methyl acetate |
| Molecular Mass | 414.361 g·mol−1 |
| Heat of Formation | -1807.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.87 ± 1.08 D |
| Volume | 446.25 Å 3 |
| Surface Area | 353.27 Å 2 |
| HOMO Energy | -10.12 ± 0.55 eV |
| LUMO Energy | -0.29 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IBIPGYWNOBGEMH-AGUBZPQCSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |