Base information
| Cat. No. | |
| CAS No. | 208538-73-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C56H72N9NaO23S |
| Molecular Weight | 1294.27 |
| Exact Mass | 1293.44 |
| XLogP3 | -0.4265 |
| Mr | 328.079 |
| PSA | 518.52 |
| Sequence | - |
| Atom number | 162 |
| Bond number | 167 |
| Ring number | 7 |
| Rotor number | 19 |
| Residues number | 0 |
| Canonical smiles | CCCCCOc1ccc(cc1)c1onc(c1)c1ccc(cc1)C(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@H](CN2C(=O)[C@@H](NC(=O)C(NC(=O)[C@H]2N(C(=O)C(NC1=O)[C@H](O)C)C[C@@H](C2)O)[C@@H]([C@H](c1ccc(c(c1)OS(=O)(=O)O)O)O)O)[C@@H](CC(=O)N)O)C.[NaH] |
