Base information
| Cat. No. | |
| CAS No. | 12224-07-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H42N12Na2O10S2 |
| Molecular Weight | 960.945 |
| Exact Mass | 960.238 |
| XLogP3 | 5.0452 |
| Mr | 235.061 |
| PSA | 344.02 |
| Sequence | - |
| Atom number | 108 |
| Bond number | 111 |
| Ring number | 6 |
| Rotor number | 22 |
| Residues number | 0 |
| Canonical smiles | OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])Nc2nc(Nc3ccccc3)nc(n2)N(CCO)CCO)nc(n1)Nc1ccccc1)CCO.[Na+].[Na+] |
