(2R)-4-[(E)-2-[[(2S)-1,5-Dihydroxy-1-Oxopentan-2-Yl]Amino]Ethenyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid
[CAS# 111534-70-4]

Identification

• Name: (2R)-4-[(E)-2-[[(2S)-1,5-Dihydroxy-1-Oxopentan-2-Yl]Amino]Ethenyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid
• Synonyms: (2R)-4-[(E)-2-[[(1S)-1-Carboxy-4-Hydroxy-Butyl]Amino]Vinyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid; (2R)-4-[(E)-2-[[(1S)-1-Carboxy-4-Hydroxybutyl]Amino]Vinyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid; (2R)-4-[(E)-2-[[(2S)-1,5-Dihydroxy-1-Oxo-Pentan-2-Yl]Amino]Ethenyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid
• Molecular Formula: C₁₄H₁₈N₂O₇
• Molecular Weight: 326.31
• CAS Registry Number: 111534-70-4
• SMILES: [C@H](N/C=C/C1=CC(=N[C@H](C1)C(O)=O)C(O)=O)(CCCO)C(O)=O
• InChI: 1S/C14H18N2O7/c17-5-1-2-9(12(18)19)15-4-3-8-6-10(13(20)21)16-11(7-8)14(22)23/h3-4,6,9,11,15,17H,1-2,5,7H2,(H,18,19)(H,20,21)(H,22,23)/b4-3+/t9-,11+/m0/s1
• InChIKey: QOCJNRPNBHJDDW-NCDNIOQDSA-N

Properties

• Density: 1.484g/cm³ (Cal.)
• Boiling point: 680.228°C at 760 mmHg (Cal.)
• Flash point: 365.189°C (Cal.)