Base information
| Cat. No. | |
| CAS No. | 37517-28-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H43N5O13 |
| Molecular Weight | 585.603 |
| Exact Mass | 585.286 |
| XLogP3 | -5.2321 |
| Mr | 128.992 |
| PSA | 331.94 |
| Sequence | - |
| Atom number | 83 |
| Bond number | 85 |
| 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[C@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)N)O)O)O[C@H]1O[C@H](CN)[C@H]([C@@H]([C@H]1O)O)O)O |
