5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Pyrrolidine-2,4,4-Tricarboxylic Acid
[CAS# 126706-33-0]

Identification

• Name: 5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Pyrrolidine-2,4,4-Tricarboxylic Acid
• Synonyms: 5-[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Pyrrolidine-2,4,4-Tricarboxylic Acid; 4-Carboxy-5-(Pyridyloxy-5'-Phosphate)Proline; Cppp
• Molecular Formula: C₁₄H₁₇N₂O₁₁P
• Molecular Weight: 420.27
• CAS Registry Number: 126706-33-0
• SMILES: C1=C(C(=C(C(=N1)C)O)C2NC(CC2(C(=O)O)C(=O)O)C(=O)O)CO[P](=O)(O)O
• InChI: 1S/C14H17N2O11P/c1-5-9(17)8(6(3-15-5)4-27-28(24,25)26)10-14(12(20)21,13(22)23)2-7(16-10)11(18)19/h3,7,10,16-17H,2,4H2,1H3,(H,18,19)(H,20,21)(H,22,23)(H2,24,25,26)
• InChIKey: FWQTWRXMADAWFI-UHFFFAOYSA-N

Properties

• Density: 1.797g/cm³ (Cal.)
• Boiling point: 758.91°C at 760 mmHg (Cal.)
• Flash point: 412.774°C (Cal.)