3-{[(3β,8Xi,9Xi,14Xi,15β)-3-Hydroxy-17-Oxoandrost-5-En-15-Yl]Sulfanyl}Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H32O4S |
| IUPAC Name | 3-[[(3s,8r,9s,10r,13s,14s,15r)-3-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid |
| Molecular Mass | 392.552 g·mol−1 |
| Heat of Formation | -859.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.82 ± 1.08 D |
| Volume | 481.11 Å 3 |
| Surface Area | 381.34 Å 2 |
| HOMO Energy | -8.94 ± 0.55 eV |
| LUMO Energy | -0.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | LUPLUYWQNXGHCA-QDPMUMIVSA-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 |