Base information
| Cat. No. | |
| CAS No. | 28002-18-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16N2Na2O7S2 |
| Molecular Weight | 458.417 |
| Exact Mass | 458.019 |
| XLogP3 | -0.0205 |
| Mr | 96.5986 |
| PSA | 180.42 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C(C(S(=O)(=O)[O-])c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SC([C@@H]2C(=O)[O-])(C)C.[Na+].[Na+] |
