Base information
| Cat. No. | |
| CAS No. | 142606-53-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H14Ca3O18 |
| Molecular Weight | 614.506 |
| Exact Mass | 613.906 |
| XLogP3 | -11.1187 |
| Mr | 85.5734 |
| PSA | 344.84 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 46 |
| Ring number | 0 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O.OC(=O)CC(C(=O)OC(C(=O)[O-])(CC(=O)[O-])CC(=O)[O-])O.[Ca+2].[Ca+2].[Ca+2] |
