(2S)-4-[(1E,2E)-2-[[(S)-1-Carboxy-2-(3,4-Dihydroxyphenyl)Ethyl]Imino]Ethylidene]-1,2,3,4-Tetrahydro-2,6-Pyridinedicarboxylic Acid
[CAS# 71199-31-0]

Identification

• Name: (2S)-4-[(1E,2E)-2-[[(S)-1-Carboxy-2-(3,4-Dihydroxyphenyl)Ethyl]Imino]Ethylidene]-1,2,3,4-Tetrahydro-2,6-Pyridinedicarboxylic Acid
• Synonyms: (2S)-4-[(E)-2-[[(1S)-1-[(3,4-Dihydroxyphenyl)Methyl]-2-Hydroxy-2-Oxo-Ethyl]Amino]Vinyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid; (2S)-4-[(E)-2-[[(1S)-1-[(3,4-Dihydroxyphenyl)Methyl]-2-Hydroxy-2-Oxoethyl]Amino]Vinyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid; (2S)-4-[(E)-2-[[(1S)-1-(3,4-Dihydroxybenzyl)-2-Hydroxy-2-Keto-Ethyl]Amino]Vinyl]-2,3-Dihydropyridine-2,6-Dicarboxylic Acid
• Molecular Formula: C₁₈H₁₈N₂O₈
• Molecular Weight: 390.35
• CAS Registry Number: 71199-31-0
• SMILES: [C@H](N/C=C/C1=CC(=N[C@@H](C1)C(O)=O)C(O)=O)(CC2=CC(=C(O)C=C2)O)C(O)=O
• InChI: 1S/C18H18N2O8/c21-14-2-1-9(8-15(14)22)5-11(16(23)24)19-4-3-10-6-12(17(25)26)20-13(7-10)18(27)28/h1-4,6,8,11,13,19,21-22H,5,7H2,(H,23,24)(H,25,26)(H,27,28)/b4-3+/t11-,13-/m0/s1
• InChIKey: HPGIHKRKXOXOJB-JXSWWZISSA-N

Properties

• Density: 1.544g/cm³ (Cal.)
• Boiling point: 783.2°C at 760 mmHg (Cal.)
• Flash point: 427.464°C (Cal.)