Base information
| Cat. No. | |
| CAS No. | 16835-77-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H22CaO12 |
| Molecular Weight | 398.374 |
| Exact Mass | 398.074 |
| XLogP3 | -7.594 |
| Mr | 70.9414 |
| PSA | 242.1 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 44 |
| Ring number | 0 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | OC[C@H](C[C@@](C(=O)[O-])(CO)O)O.OC[C@H](C[C@@](C(=O)[O-])(CO)O)O.[Ca+2] |
