Base information
| Cat. No. | |
| CAS No. | 82518-61-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H22N4O8 |
| Molecular Weight | 398.368 |
| Exact Mass | 398.144 |
| XLogP3 | 4.1833 |
| Mr | 102.94 |
| PSA | 179.3 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 50 |
| Ring number | 1 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-] |
