Base information
| Cat. No. | |
| CAS No. | 21401-21-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H17NO7 |
| Molecular Weight | 311.287 |
| Exact Mass | 311.101 |
| XLogP3 | -1.22662 |
| Mr | 71.5322 |
| PSA | 143.4 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]1OC(O[C@H](c2ccc(cc2)O)C#N)[C@@H]([C@H]([C@@H]1O)O)O |
