4-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-Butanoic Acid Calcium Salt (2:1)
[CAS 17097-76-6]

Identification

• Name: 4-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]-Butanoic Acid Calcium Salt (2:1)
• Synonyms: Calcium 4-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-Butanoyl]Amino]Butanoate; Calcium 4-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-1-Oxobutyl]Amino]Butanoate; Calcium 4-[[(2R)-2,4-Dihydroxy-3,3-Dimethyl-Butanoyl]Amino]Butyrate
• Molecular Formula: C₂₀H₃₆CaN₂O₁₀
• Molecular Weight: 504.59
• CAS Registry Number: 17097-76-6
• SMILES: [C@@H](O)(C(CO)(C)C)C(=O)NCCCC([O-])=O.[C@@H](O)(C(CO)(C)C)C(=O)NCCCC([O-])=O.[Ca++]
• InChI: 1S/2C10H19NO5.Ca/c2*1-10(2,6-12)8(15)9(16)11-5-3-4-7(13)14;/h2*8,12,15H,3-6H2,1-2H3,(H,11,16)(H,13,14);/q;;+2/p-2/t2*8-;/m00./s1
• InChIKey: OVXZVDMCQPLHIY-QXGOIDDHSA-L

Properties

• Boiling point: 556°C at 760 mmHg (Cal.)
• Flash point: 290.1°C (Cal.)