3-[(3-{(1R,2R,3R)-3-Hydroxy-2-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-5-Oxocyclopentyl}Propyl)Sulfanyl]Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C19H32O5S |
| IUPAC Name | 3-[3-[(1r,2r,3r)-3-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]-5-oxo-cyclopentyl]propylsulfanyl]propanoic acid |
| Molecular Mass | 372.519 g·mol−1 |
| Heat of Formation | -1106.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.96 ± 1.08 D |
| Volume | 485.26 Å 3 |
| Surface Area | 375.27 Å 2 |
| HOMO Energy | -8.65 ± 0.55 eV |
| LUMO Energy | 3.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GEGZUKCXRBOEAP-MAEOAUKBSA-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 |