HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cyclovirobuxeine A
Identifiers & Physical Properties
| CAS No. | 7727-91-5 |
|---|---|
| Molecular formula | C28H48N2O |
| Average molar mass | 428.7 g/mol |
| Monoisotopic mass | 428.37666416 g/mol |
| SMILES | C[C@@H]([C@H]1[C@H](O)C[C@@]2(C)[C@@H]3C=C[C@H]4C(C)(C)[C@@H](N(C)C)CC[C@@]45C[C@@]35CC[C@]12C)N(C)C |
| InChIKey | UVWOWJBPZRXVCO-FUWUEERMSA-N |
| PubChem CID | 384607 |
Chemical & Physical Properties
| XLogP | 5.7 |
|---|---|
| Topological polar surface area | 26.7 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 31 |
| Formal charge | 0 |
| Complexity | 788 |