Base information
| Cat. No. | |
| CAS No. | 52152-93-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H19N4NaO8S2 |
| Molecular Weight | 554.528 |
| Exact Mass | 554.054 |
| XLogP3 | -0.1267 |
| Mr | 127.293 |
| PSA | 227.39 |
| Sequence | - |
| Atom number | 56 |
| Bond number | 58 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | O=C([C@H](S(=O)(=O)[O-])c1ccccc1)N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])C[n+]1ccc(cc1)C(=O)N.[Na+] |
