Base information
| Cat. No. | |
| CAS No. | 63461-31-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H21N3O18 |
| Molecular Weight | 531.337 |
| Exact Mass | 531.082 |
| XLogP3 | -3.1828 |
| Mr | 108.705 |
| PSA | 359.74 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 57 |
| Ring number | 1 |
| Rotor number | 13 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CC(C([C@H]1O[C@H](O)[C@@]([C@]([C@@H]1O)(O)C([N+](=O)[O-])CC(=O)O)(O)C([N+](=O)[O-])CC(=O)O)O)[N+](=O)[O-] |
