α-Ketovaline calcium salt
Properties
- Molecular formula
- C10H14CaO6
- Molar mass
- 270.29 g/mol
- Exact mass
- 270.0416 Da
- logP
- -0.08Crippen estimate
- Polar surface area
- 54.4 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
51828-94-5SMILES
CC(C)C(=O)C([O-])=O.CC(C)C(=O)C([O-])=O.[Ca+2]InChI
The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.
Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Butanoic acid, 3-methyl-2-oxo-, calcium salt (2:1)
- Butanoic acid, 3-methyl-2-oxo-, calcium salt
- α-Ketoisovaleric acid calcium salt
- Calcium α-ketoisovalerate
- Keto-Valine calcium
Work with α-Ketovaline calcium salt
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Pentanoic acid, 3-methyl-2-oxo-, calcium salt (2:1), (3S)-51828-96-757 % similar
Calcium 3-methyl-2-oxopentanoate66872-75-157 % similar
Calcium oxalate (1:1)563-72-450 % similar
Calcium α-ketoisocaproate51828-95-645 % similar
Calcium pyruvate52009-14-044 % similar
Calcium oxalate monohydrate5794-28-544 % similar
Calcium L-lactate28305-25-135 % similar
Calcium lactate814-80-235 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds