Base information
| Cat. No. | |
| CAS No. | 83306-52-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H25NO12 |
| Molecular Weight | 447.391 |
| Exact Mass | 447.138 |
| XLogP3 | -0.5586 |
| Mr | 97.5245 |
| PSA | 180.83 |
| Sequence | - |
| Atom number | 56 |
| Bond number | 56 |
| Ring number | 1 |
| Rotor number | 14 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCC(=O)N[C@@H]1O[C@H](COC(=O)C)[C@@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)OC(=O)C |
