Calcium 3-methyl-2-oxovalerate

• CAS: 66872-75-1
• Catalog Number: ACM66872751
• Category: Other Products
• Molecular Weight: 298.35
• Molecular Formula: C12H18CaO6
• Synonyms: Alpha-ketoisoleucine calcium salt
• IUPAC Name: Calcium;3-methyl-2-oxopentanoate
• Canonical SMILES: CCC(C)C(=O)C(=O)[O-].CCC(C)C(=O)C(=O)[O-].[Ca+2]
• InChI: InChI=1S/2C6H10O3.Ca/c2*1-3-4(2)5(7)6(8)9;/h2*4H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
• InChI Key: PTFSVYLXDCGPFY-UHFFFAOYSA-L
• Appearance: White to off-white solid
• Storage: Inert atmosphere, room temperature
• Complexity: 123
• Exact Mass: 298.0729291
• Monoisotopic Mass: 298.0729291
• Topological Polar Surface Area: 114 Ų