Base information
| Cat. No. | |
| CAS No. | 7179-50-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H26CaN2O9 |
| Molecular Weight | 502.528 |
| Exact Mass | 502.126 |
| XLogP3 | -0.3183 |
| Mr | 113.604 |
| PSA | 201.85 |
| Sequence | - |
| Atom number | 60 |
| Bond number | 62 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1[C@@H](O)[C@H]1C(=C2O)C(=O)c2c([C@@]1(C)O)cccc2O)O)O)C.[CaH2] |
