Base information
| Cat. No. | |
| CAS No. | 6473-13-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H32N13Na3O11S3 |
| Molecular Weight | 1083.97 |
| Exact Mass | 1083.12 |
| XLogP3 | 15.4907 |
| Mr | 259.155 |
| PSA | 452.19 |
| Sequence | - |
| Atom number | 106 |
| Bond number | 110 |
| Ring number | 8 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc(c(c1)N)/N=N/c1ccc2c(c1)c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)[O-])/N=N/c1c(O)c2cc(/N=N/c3ccc(cc3N)N)ccc2cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
