Calcium lactogluconate
dicalcium;bis(2-hydroxypropanoate);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
Also Known As: Lactogluconic Acid|Calcium lactogluconate|Calcium hexonate 2-hydroxypropanoate (1/1/1)|Calcium D-gluconate 2-hydroxypropanoate (1/1/1)|dicalcium;2-hydroxypropanoate;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate|D-Gluconic acid, calcium salt (2:1), mixt. with 2-hydroxypropanoic acid calcium salt (2:1)|dicalcium; 2-hydroxypropanoate; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
| Molecular Formula | C18H32Ca2O20 |
|---|---|
| Molecular Weight | 648.07385 g/mol |
| LogP | -14.183 |
| Topological Polar Surface Area | 403.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Exact Mass | 648.07385 |
| Monoisotopic Mass | 648.07385 |
| Heavy Atoms | 40 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 52080-72-5 |
|---|---|
| SMILES | CC(C(=O)[O-])O.CC(C(=O)[O-])O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.[Ca+2].[Ca+2] |
| InChIKey | CHWIDOSGOMYENF-BMDZSJGYSA-J |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium lactogluconate (CAS 52080-72-5), with molecular formula C18H32Ca2O20 and molecular weight 648.07385 g/mol. IUPAC: dicalcium;bis(2-hydroxypropanoate);bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate).