5-{[(1S,3R,5Z,7E,9Xi,20S)-1-Hydroxy-20-(3-Hydroxy-3-Methylbutoxy)-9,10-Secopregna-5,7,10-Trien-3-Yl]Oxy}-5-Oxopentanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C31H48O7 |
| IUPAC Name | 5-{[(1s,3r,5z,7e,9xi,20s)-1-hydroxy-20-(3-hydroxy-3-methylbutoxy)-9,10-secopregna-5,7,10-trien-3-yl]oxy}-5-oxopentanoic acid |
| Molecular Mass | 532.709 g·mol−1 |
| Heat of Formation | 3894.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.68 ± 1.08 D |
| Volume | 563.53 Å 3 |
| Surface Area | 527.13 Å 2 |
| HOMO Energy | -8.57 ± 0.55 eV |
| LUMO Energy | -3.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OREIUHIOTGIWFL-VRJSFEGNSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O |