3-{[(7α,8Xi,9Xi,14Xi)-21-Hydroxy-3,20-Dioxopregn-4-En-7-Yl]Sulfanyl}Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C24H34O5S |
| IUPAC Name | 3-[[(7r,8s,9s,10r,13s,14s,17s)-17-(2-hydroxyacetyl)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoic acid |
| Molecular Mass | 434.589 g·mol−1 |
| Heat of Formation | -1023.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.11 ± 1.08 D |
| Volume | 526.17 Å 3 |
| Surface Area | 397.46 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | -0.13 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZHFOMNGXYBGRRA-RGKMBJPFSA-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 |