Base information
| Cat. No. | |
| CAS No. | 82944-42-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C39H29N9Na4O15S4 |
| Molecular Weight | 1083.92 |
| Exact Mass | 1083.03 |
| XLogP3 | 10.5089 |
| Mr | 232.934 |
| PSA | 412.92 |
| Sequence | - |
| Atom number | 100 |
| Bond number | 102 |
| Ring number | 7 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | COc1cc(/N=N/c2cc3c(c(c2)S(=O)(=O)[O-])cccc3S(=O)(=O)[O-])c(cc1Nc1nc(=O)[nH]c(n1)Nc1cc(C)c(cc1OC)/N=N/c1cc2c(c(c1)S(=O)(=O)[O-])cccc2S(=O)(=O)[O-])C.[Na+].[Na+].[Na+].[Na+] |
