Ketoleucine calcium salt dihydrate

CAS	51828-95-6
Structure
Synonyms	2-Keto-4-methyl-valeric acid
IUPAC Name	Calcium;4-methyl-2-oxopentanoate
Molecular Weight	172.24
Molecular Formula	C6H12CaO3
Canonical SMILES	CC(C)CC(=O)C(=O)[O-].CC(C)CC(=O)C(=O)[O-].[Ca+2]
InChI	InChI=1S/2C6H10O3.Ca/c2*1-4(2)3-5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
InChI Key	WQZNGJIBHXYVNW-UHFFFAOYSA-L
Melting Point	>300 °C
Purity	98%
Solubility in Water	Slightly
Appearance	White to off-white solid