Base information
| Cat. No. | |
| CAS No. | 119616-38-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H18N3NaO8S2 |
| Molecular Weight | 443.428 |
| Exact Mass | 443.043 |
| XLogP3 | 0.5194 |
| Mr | 101.864 |
| PSA | 195.69 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | O=C(ON1C(=O)CC(C1=O)S(=O)(=O)[O-])CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2.[Na+] |
