Base information
| Cat. No. | |
| CAS No. | 86832-68-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H12N6Na2O10S2 |
| Molecular Weight | 510.367 |
| Exact Mass | 509.985 |
| XLogP3 | -1.8619 |
| Mr | 95.5044 |
| PSA | 296.18 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 43 |
| Ring number | 2 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | NC(=O)OC[C@@H]1[C@H](NC(=O)/C(=N\OCC(=O)[O-])/c2csc(n2)N)C(=O)N1S(=O)(=O)[O-].[Na+].[Na+] |
