Base information
| Cat. No. | |
| CAS No. | 51-42-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H19NO9 |
| Molecular Weight | 333.291 |
| Exact Mass | 333.106 |
| XLogP3 | -1.3811 |
| Mr | 76.2407 |
| PSA | 187.78 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 41 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC(C(C(=O)O)O)C(=O)O.CNCC(c1ccc(c(c1)O)O)O |
