Base information
| Cat. No. | |
| CAS No. | 207226-35-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H20CaN3Na3O11 |
| Molecular Weight | 515.369 |
| Exact Mass | 515.042 |
| XLogP3 | -9.4224 |
| Mr | 80.2953 |
| PSA | 219.6 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 46 |
| Ring number | 0 |
| Rotor number | 16 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Ca+2].O |
