Base information
| Cat. No. | |
| CAS No. | 33659-28-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H24Br2Ca2O12 |
| Molecular Weight | 600.276 |
| Exact Mass | 597.889 |
| XLogP3 | -3.7527 |
| Mr | 90.9982 |
| PSA | 217.6 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 50 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | OC[C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O[C@@H]1O[C@H](CO)[C@@H]([C@@H]([C@H]1O)O)O)O.Br[Ca]Br.[CaH2] |