5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Pyrrolidine-2,4-Dicarboxylic Acid
[CAS# 126706-34-1]

Identification

• Name: 5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Pyrrolidine-2,4-Dicarboxylic Acid
• Synonyms: 5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Pyrrolidine-2,4-Dicarboxylic Acid; 2,4-Pyrrolidinedicarboxylic Acid, 5-(3-Hydroxy-2-Methyl-5-((Phosphonooxy)Methyl)-4-Pyridinyl)-; 4,4-Dicarboxy-5-(Pyridoxyl-5'-Phosphate)Proline
• Molecular Formula: C₁₃H₁₇N₂O₉P
• Molecular Weight: 376.26
• CAS Registry Number: 126706-34-1
• SMILES: C1=C(C(=C(C(=N1)C)O)C2NC(CC2C(=O)O)C(=O)O)CO[P](=O)(O)O
• InChI: 1S/C13H17N2O9P/c1-5-11(16)9(6(3-14-5)4-24-25(21,22)23)10-7(12(17)18)2-8(15-10)13(19)20/h3,7-8,10,15-16H,2,4H2,1H3,(H,17,18)(H,19,20)(H2,21,22,23)
• InChIKey: AGPXAGRDCOKQID-UHFFFAOYSA-N

Properties

• Density: 1.686g/cm³ (Cal.)
• Boiling point: 704.122°C at 760 mmHg (Cal.)
• Flash point: 379.639°C (Cal.)