Base information
| Cat. No. | |
| CAS No. | 12224-02-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H45N12NaO16S4 |
| Molecular Weight | 1101.11 |
| Exact Mass | 1100.19 |
| XLogP3 | 6.4979 |
| Mr | 259.593 |
| PSA | 463.86 |
| Sequence | - |
| Atom number | 118 |
| Bond number | 122 |
| Ring number | 6 |
| Rotor number | 24 |
| Residues number | 0 |
| Canonical smiles | OCCN(c1nc(Nc2ccc(c(c2)S(=O)(=O)O)C=Cc2ccc(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.[NaH] |
