Base information
| Cat. No. | |
| CAS No. | 6019-06-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H30N2O14 |
| Molecular Weight | 498.436 |
| Exact Mass | 498.17 |
| XLogP3 | -2.5876 |
| Mr | 113.642 |
| PSA | 264.71 |
| Sequence | - |
| Atom number | 64 |
| Bond number | 61 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | O[C@H]([C@H](C(=O)O)O)C(=O)O.O[C@H]([C@H](C(=O)O)O)C(=O)O.CN1CCC[C@H]1c1cccnc1.O.O |
