(2S,3E)-4-[(1S,5S,8S)-8-Hydroxy-1,5-Dimethyl-3-Oxo-6-Oxabicyclo[3.2.1]Oct-8-Yl]-3-Buten-2-Yl β-D-Glucopyranoside
Properties
| Property | Value |
|---|---|
| Formula | C19H30O9 |
| IUPAC Name | (1s,5s,8s)-8-hydroxy-1,5-dimethyl-8-[(e,3s)-3-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybut-1-enyl]-6-oxabicyclo[3.2.1]octan-3-one |
| Molecular Mass | 402.436 g·mol−1 |
| Heat of Formation | -1678.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.19 ± 1.08 D |
| Volume | 472.68 Å 3 |
| Surface Area | 372.03 Å 2 |
| HOMO Energy | -9.90 ± 0.55 eV |
| LUMO Energy | 0.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AQDQRSAVDNFBEA-YPVHWGLSSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |