HuagongsheHuagongshe Chemistry Print Report · For research reference only
6-alpha-Fluorhydrocortisone
6-a-Fluor-Hydrocortisone · 6-alpha-Fluorhydrocortisone · Pregn-4-ene-3,20-dione, 6-fluoro-11,17,21-trihydroxy-, (6α,11β)-
Identifiers & Physical Properties
| CAS No. | 1053-58-3 |
|---|---|
| Molecular formula | C21H29FO5 |
| Average molar mass | 380.4 g/mol |
| Monoisotopic mass | 380.19990218 g/mol |
| SMILES | C[C@]12CCC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO |
| InChIKey | MEZCUMCMVYZPAH-HVIRSNARSA-N |
| PubChem CID | 247939 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 94.8 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 719 |
| SpringerMaterials Properties | Crystal structure |