(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 |