(5Z)-7-{(1R,5S,6R,7R)-7-[(3S)-3-Hydroxyoctyl]-3-Oxo-2,4-Dioxabicyclo[3.2.1]Oct-6-Yl}-5-Heptenoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H34O6 |
| IUPAC Name | (z)-7-[(1r,5s,6r,7r)-7-[(3s)-3-hydroxyoctyl]-3-oxo-2,4-dioxabicyclo[3.2.1]octan-6-yl]hept-5-enoic acid |
| Molecular Mass | 382.491 g·mol−1 |
| Heat of Formation | -1295.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.43 ± 1.08 D |
| Volume | 496.81 Å 3 |
| Surface Area | 390.51 Å 2 |
| HOMO Energy | -10.12 ± 0.55 eV |
| LUMO Energy | 0.33 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CVQLYMOSZQTFDP-NFUXFLSFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |