2-[(5-Fluoro-2,4-Dinitrophenyl)Amino]-3-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Methylamino]Propanoic Acid
[CAS# 72156-20-8]

Identification

• Name: 2-[(5-Fluoro-2,4-Dinitrophenyl)Amino]-3-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Methylamino]Propanoic Acid
• Synonyms: 2-[(5-Fluoro-2,4-Dinitro-Phenyl)Amino]-3-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Methylamino]Propanoic Acid; 2-[(5-Fluoro-2,4-Dinitrophenyl)Amino]-3-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Methylamino]Propanoic Acid; 2-[(5-Fluoro-2,4-Dinitro-Phenyl)Amino]-3-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Methylamino]Propionic Acid
• Molecular Formula: C₁₇H₁₉FN₅O₁₁P
• Molecular Weight: 519.34
• CAS Registry Number: 72156-20-8
• SMILES: C1=C([N+]([O-])=O)C(=CC(=C1[N+]([O-])=O)NC(CNCC2=C(O)C(=NC=C2CO[P](=O)(O)O)C)C(=O)O)F
• InChI: 1S/C17H19FN5O11P/c1-8-16(24)10(9(4-20-8)7-34-35(31,32)33)5-19-6-13(17(25)26)21-12-2-11(18)14(22(27)28)3-15(12)23(29)30/h2-4,13,19,21,24H,5-7H2,1H3,(H,25,26)(H2,31,32,33)
• InChIKey: RZSMEIDEKOZVTD-UHFFFAOYSA-N

Properties

• Density: 1.728g/cm³ (Cal.)
• Boiling point: 929.868°C at 760 mmHg (Cal.)
• Flash point: 516.165°C (Cal.)