Pentaric acid, calcium salt (1:?)
calcium 2,3,4-trihydroxypentanedioate
Also Known As: Calcium pentarate|Pentaric acid, calcium salt|EINECS 271-499-2|Pentaric acid, calcium salt (1:?)|calcium 2,3,4-trihydroxypentanedioate|1-Hydroxypropane-1,2,3-tricarboxylic acid, calcium salt|2,6-dimethyl-8,8-bis[(11-methyldodecyl)oxy]octan-2-ol|calcium 2,3,4-trihydroxypentanedioate(non-preferred name)
| Molecular Formula | C5H6CaO7 |
|---|---|
| Molecular Weight | 217.97394 g/mol |
| LogP | -5.81 |
| Topological Polar Surface Area | 140.95 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.97394 |
| Heavy Atoms | 13 |
| Complexity | 173.3 |
Chemical Identifiers
| CAS Number | 68568-63-8 |
|---|---|
| SMILES | C(C(C(=O)[O-])O)(C(C(=O)[O-])O)O.[Ca+2] |
Product Overview
Pentaric acid, calcium salt (1:?) (CAS 68568-63-8), with molecular formula C5H6CaO7 and molecular weight 217.97394 g/mol. IUPAC: calcium 2,3,4-trihydroxypentanedioate.
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