Base information
| Cat. No. | |
| CAS No. | 178925-55-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C52H47N12NaO16S6 |
| Molecular Weight | 1311.38 |
| Exact Mass | 1310.15 |
| XLogP3 | 7.8251 |
| Mr | 313.831 |
| PSA | 467.18 |
| Sequence | - |
| Atom number | 134 |
| Bond number | 142 |
| Ring number | 10 |
| Rotor number | 25 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1n1nc(n[n+]1c1nc2c(s1)cccc2)c1ccc(cc1)C(=O)N(CCS(=O)(=O)O)CCS(=O)(=O)[O-])c1ccc(c(c1)OC)n1nc(n[n+]1c1nc2c(s1)cccc2)c1ccc(cc1)C(=O)N(CCS(=O)(=O)O)CCS(=O)(=O)[O-].[NaH] |
