Base information
| Cat. No. | |
| CAS No. | 85631-88-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C34H28N9NaO11S3 |
| Molecular Weight | 857.825 |
| Exact Mass | 857.097 |
| XLogP3 | 12.7356 |
| Mr | 208.889 |
| PSA | 366.94 |
| Sequence | - |
| Atom number | 86 |
| Bond number | 90 |
| Ring number | 6 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc(c(c1)N)/N=N/c1ccc(cc1)Nc1ccc(cc1S(=O)(=O)O)/N=N/c1c(N)c2c(cc1S(=O)(=O)O)cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)O.[NaH] |
