Base information
| Cat. No. | |
| CAS No. | 1144040-14-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H28N2O13 |
| Molecular Weight | 504.442 |
| Exact Mass | 504.159 |
| XLogP3 | -2.3444 |
| Mr | 113.247 |
| PSA | 233.22 |
| Sequence | - |
| Atom number | 63 |
| Bond number | 65 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | OCC1O[C@H](Oc2ccc(cc2)[N+](=O)[O-])C(C([C@H]1O)O[C@H]1OC(CO)[C@@H](C(C1O)O)O)NC(=O)C |
