2-{[(2R)-2-Amino-2-carboxyethyl]sulfinyl}-4-methylpentanoic acid
[CAS# 907564-65-2]

Identification

• Name: 2-{[(2R)-2-Amino-2-carboxyethyl]sulfinyl}-4-methylpentanoic acid
• Synonyms: Alanine, 3-(L-1-carboxy-3-methylbutylsulfinyl)-, L-
• Molecular Formula: C₉H₁₇NO₅S
• Molecular Weight: 251.30
• CAS Registry Number: 907564-65-2
• SMILES: CC(C)CC(C(O)=O)S(=O)C[C@H](N)C(O)=O
• InChI: 1S/C9H17NO5S/c1-5(2)3-7(9(13)14)16(15)4-6(10)8(11)12/h5-7H,3-4,10H2,1-2H3,(H,11,12)(H,13,14)/t6-,7?,16?/m0/s1
• InChIKey: PQKYNTGIIBTYMD-IEBOQKFYSA-N

Properties

• Density: 1.391g/cm³ (Cal.)
• Boiling point: 530.625°C at 760 mmHg (Cal.)
• Flash point: 274.712°C (Cal.)
• Refractive index: 1.568 (Cal.)