Base information
| Cat. No. | |
| CAS No. | 1641-74-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H26N2O9 |
| Molecular Weight | 414.407 |
| Exact Mass | 414.164 |
| XLogP3 | 0.3317 |
| Mr | 99.9187 |
| PSA | 174.56 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 54 |
| Ring number | 1 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | OC(=O)C(CC(=O)O)(CC(=O)O)O.CCN(CCOC(=O)c1cccnc1)CC |
