Base information
| Cat. No. | |
| CAS No. | 62758-15-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C39H41N5Na2O10S3 |
| Molecular Weight | 881.945 |
| Exact Mass | 881.181 |
| XLogP3 | 10.4496 |
| Mr | 218.341 |
| PSA | 266.49 |
| Sequence | - |
| Atom number | 100 |
| Bond number | 101 |
| Ring number | 5 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | CN(c1ccc(cc1)/N=N/c1ccc(cc1)S(=O)(=O)[O-])C.CC/N=C/1\C=C/C(=C(\c2cc(O)c(cc2S(=O)(=O)O)S(=O)(=O)[O-])/c2ccc(c(c2)C)NCC)/C=C1C.[Na+].[Na+] |
