Base information
| Cat. No. | |
| CAS No. | 16958-31-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H31NO9 |
| Molecular Weight | 441.472 |
| Exact Mass | 441.2 |
| XLogP3 | -0.3162 |
| Mr | 111.625 |
| PSA | 139.67 |
| Sequence | - |
| Atom number | 62 |
| Bond number | 63 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | CN1CC[C@H]2OC(=O)C(O)(C[C@H]([C@@](C(=O)OCC(=CC1)C2=O)(C)OC(=O)C)C)C(O)C |
