Base information
| Cat. No. | |
| CAS No. | 68971-49-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H45N12NaO22S6 |
| Molecular Weight | 1261.23 |
| Exact Mass | 1260.1 |
| XLogP3 | 7.1529 |
| Mr | 279.311 |
| PSA | 589.36 |
| Sequence | - |
| Atom number | 126 |
| Bond number | 130 |
| Ring number | 6 |
| Rotor number | 26 |
| Residues number | 0 |
| Canonical smiles | OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(cc2S(=O)(=O)O)Nc2nc(nc(n2)N(CCO)CCO)Nc2cc(ccc2S(=O)(=O)O)S(=O)(=O)O)nc(n1)Nc1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)CCO.[NaH] |
