3-{[(17β)-17-Hydroxy-3-Oxoandrost-4-En-15-Yl]Sulfanyl}Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C22H32O4S |
| IUPAC Name | 3-[[(8r,9s,10r,13s,14r,15r,17s)-17-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-15-yl]sulfanyl]propanoic acid |
| Molecular Mass | 392.552 g·mol−1 |
| Heat of Formation | -876.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.73 ± 1.08 D |
| Volume | 480.19 Å 3 |
| Surface Area | 377.81 Å 2 |
| HOMO Energy | -8.90 ± 0.55 eV |
| LUMO Energy | -0.24 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VOQHXJIHDSILOF-DNNXKHSDSA-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 |