Base information
| Cat. No. | |
| CAS No. | 11116-97-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C9H16CaO10 |
| Molecular Weight | 324.295 |
| Exact Mass | 324.037 |
| XLogP3 | -6.7107 |
| Mr | 54.1208 |
| PSA | 201.64 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 33 |
| Ring number | 0 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)C(O)C.OC[C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O.[Ca+2] |
