Base information
| Cat. No. | |
| CAS No. | 50925-42-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C39H30N10Na4O13S4 |
| Molecular Weight | 1066.93 |
| Exact Mass | 1066.05 |
| XLogP3 | 9.077 |
| Mr | 231.923 |
| PSA | 407.41 |
| Sequence | - |
| Atom number | 100 |
| Bond number | 102 |
| Ring number | 7 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | OCCNc1nc(/N=C/2\C=CC(C(=C2)C)/N=N/c2cc3c(c(c2)S(=O)(=O)[O-])cccc3S(=O)(=O)[O-])nc(n1)/N=C/1\C=CC(C(=C1)C)/N=N/c1cc2c(c(c1)S(=O)(=O)[O-])cccc2S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
