Base information
| Cat. No. | |
| CAS No. | 111072-31-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H18N7NaO13S2 |
| Molecular Weight | 675.537 |
| Exact Mass | 675.03 |
| XLogP3 | 4.1742 |
| Mr | 148.845 |
| PSA | 302.12 |
| Sequence | - |
| Atom number | 63 |
| Bond number | 65 |
| Ring number | 4 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | COc1cc(N(=O)=O)c(cc1n1nc(n[n+]1c1cc(c(cc1OC)N(=O)=O)S(=O)(=O)[O-])C(=O)Nc1ccccc1)S(=O)(=O)O.[NaH] |
