HuagongsheHuagongshe Chemistry Print Report · For research reference only
Valproyl-adenylic acid
valproyl-adenylic acid
Identifiers & Physical Properties
| CAS No. | 140233-88-1 |
|---|---|
| Molecular formula | C18H28N5O8P |
| Average molar mass | 473.4 g/mol |
| Monoisotopic mass | 473.16754987 g/mol |
| SMILES | CCCC(CCC)C(=O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O |
| InChIKey | WIBHCYGIEDIFDO-LSCFUAHRSA-N |
| PubChem CID | 3083316 |
| DTXSID | DTXSID60161267 |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 192 |
| Hydrogen bond donors | 4 |
| Hydrogen bond acceptors | 12 |
| Rotatable bonds | 11 |
| Heavy atoms | 32 |
| Formal charge | 0 |
| Complexity | 684 |