5-[(1R,3As,4R,6As)-4-(1,3-Benzodioxol-5-Yl)-3A,6A-Dihydroxytetrahydro-1H,3H-Furo[3,4-C]Furan-1-Yl]-2-Hydroxyphenyl β-D-Glucopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C25H28O13 |
| IUPAC Name | (2s,3r,4s,5s,6r)-2-[5-[(3r,3as,6r,6as)-3-(1,3-benzodioxol-5-yl)-3a,6a-dihydroxy-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2-hydroxy-phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol |
| Molecular Mass | 536.482 g·mol−1 |
| Heat of Formation | -2019.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.73 ± 1.08 D |
| Volume | 584.08 Å 3 |
| Surface Area | 459.23 Å 2 |
| HOMO Energy | -8.85 ± 0.55 eV |
| LUMO Energy | -0.16 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HUVQMIPFAVBQIA-KYBLTUFESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |