Base information
| Cat. No. | |
| CAS No. | 12768-91-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H40N12Na4O16S4 |
| Molecular Weight | 1165.04 |
| Exact Mass | 1164.12 |
| XLogP3 | 5.015 |
| Mr | 251.076 |
| PSA | 475.18 |
| Sequence | - |
| Atom number | 116 |
| Bond number | 117 |
| Ring number | 6 |
| Rotor number | 24 |
| Residues number | 0 |
| Canonical smiles | OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)[O-])/C=C/c2ccc(cc2S(=O)(=O)[O-])Nc2nc(Nc3cccc(c3)S(=O)(=O)[O-])nc(n2)N(CCO)CCO)nc(n1)Nc1cccc(c1)S(=O)(=O)[O-])CCO.[Na+].[Na+].[Na+].[Na+] |
