Base information
| Cat. No. | |
| CAS No. | 12224-06-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H34N12Na2O8S2 |
| Molecular Weight | 872.84 |
| Exact Mass | 872.186 |
| XLogP3 | 6.4176 |
| Mr | 213.321 |
| PSA | 321.14 |
| Sequence | - |
| Atom number | 94 |
| Bond number | 97 |
| Ring number | 6 |
| Rotor number | 18 |
| Residues number | 0 |
| Canonical smiles | OCCNc1nc(nc(n1)Nc1ccccc1)Nc1ccc(c(c1)S(=O)(=O)[O-])/C=C/c1ccc(cc1S(=O)(=O)[O-])Nc1nc(NCCO)nc(n1)Nc1ccccc1.[Na+].[Na+] |
