Base information
| Cat. No. | |
| CAS No. | 5585-59-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H21N3O9 |
| Molecular Weight | 459.406 |
| Exact Mass | 459.128 |
| XLogP3 | 1.2523 |
| Mr | 113.188 |
| PSA | 207.21 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 57 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@@H]1Cc3c(C(=O)C1=C2O)c(O)ccc3[N+](=O)[O-])O)O)C |
