Base information
| Cat. No. | |
| CAS No. | 2226475-42-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16N8O4 |
| Molecular Weight | 336.307 |
| Exact Mass | 336.129 |
| XLogP3 | -0.61144 |
| Mr | 77.032 |
| PSA | 178.29 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 42 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OCCN=[N+]=[N-])n1cnc2c1ncnc2N |
