Base information
| Cat. No. | |
| CAS No. | 94088-85-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H26CaN2O8 |
| Molecular Weight | 486.528 |
| Exact Mass | 486.132 |
| XLogP3 | 0.5777 |
| Mr | 112.559 |
| PSA | 181.62 |
| Sequence | - |
| Atom number | 59 |
| Bond number | 61 |
| 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]1[C@@H](C)c3cccc(c3C(=O)C1=C2O)O)O)O)C.[CaH2] |
