(5Z)-7-{(1S,2R,5S)-3-[(1E,3R)-3-Hydroxy-1-Octen-1-Yl]-6-Thiabicyclo[3.1.1]Hept-2-Yl}-5-Heptenoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C21H34O3S |
| IUPAC Name | (z)-7-[(1s,3r,4r,5s)-3-[(e,3s)-3-hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid |
| Molecular Mass | 366.558 g·mol−1 |
| Heat of Formation | -637.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.04 ± 1.08 D |
| Volume | 488.99 Å 3 |
| Surface Area | 379.43 Å 2 |
| HOMO Energy | -8.66 ± 0.55 eV |
| LUMO Energy | -0.30 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OVGWMUWIRHGGJP-IGUVKOCZSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O |