HuagongsheHuagongshe Chemistry Print Report · For research reference only
Macusine A iodide
Identifiers & Physical Properties
| CAS No. | 58462-33-2 |
|---|---|
| Molecular formula | C22H27IN2O3 |
| Average molar mass | 494.4 g/mol |
| Monoisotopic mass | 494.10664 g/mol |
| SMILES | C/C=C1/C[N@@+]2(C)[C@H]3C[C@@H]1[C@@](CO)(C(=O)OC)[C@@H]2Cc1c3[nH]c2ccccc12.[I-] |
| InChIKey | VVOSRYHOWNMDIG-PVFPYHDPSA-M |
| PubChem CID | 91617841 |
Chemical & Physical Properties
| Topological polar surface area | 62.3 |
|---|---|
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 28 |
| Formal charge | 0 |
| Complexity | 678 |