Base information
| Cat. No. | |
| CAS No. | 5785-44-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H18Ca3O18 |
| Molecular Weight | 570.495 |
| Exact Mass | 569.937 |
| XLogP3 | -3.2168 |
| Mr | 77.8708 |
| PSA | 235.18 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 48 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | O=C(C1(O)CC(=O)O[Ca]OC(=O)C1)O[Ca]OC(=O)C1(O)CC(=O)O[Ca]OC(=O)C1.O.O.O.O |
