Base information
| Cat. No. | |
| CAS No. | 12772-35-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H41N5O12 |
| Molecular Weight | 555.577 |
| Exact Mass | 555.275 |
| XLogP3 | -4.593 |
| Mr | 123.023 |
| PSA | 311.71 |
| Sequence | - |
| Atom number | 79 |
| Bond number | 81 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | NCC[C@H](C(=O)N[C@@H]1C[C@H](N)[C@H]([C@@H]([C@H]1O)O[C@H]1O[C@H](C([C@@H]1O)O)CO)O[C@H]1O[C@H](CN)C([C@@H](C1N)O)O)O |
