Base information
| Cat. No. | |
| CAS No. | 86163-17-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H16N2O7 |
| Molecular Weight | 312.275 |
| Exact Mass | 312.096 |
| XLogP3 | -1.6365 |
| Mr | 74.0973 |
| PSA | 130.85 |
| Sequence | - |
| Atom number | 38 |
| Bond number | 39 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COC(=O)/C=C/c1cn([C@@H]2O[C@@H]([C@H](C2)O)CO)c(=O)[nH]c1=O |
