Base information
| Cat. No. | |
| CAS No. | 12111-24-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H21CaN3NaO10-- |
| Molecular Weight | 454.398 |
| Exact Mass | 454.075 |
| XLogP3 | -6.4874 |
| Mr | 91.8806 |
| PSA | 224.76 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 53 |
| Ring number | 5 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)CN12CCN3([Ca+2]452([O-]C(=O)C3)[O-]C(=O)CN5(CC1)CC(=O)[O-]4)CC(=O)[O-].[Na+] |
