2-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Methylamino]-3-(1H-Pyrrolo[5,4-b]Pyridin-3-Yl)Propanoic Acid
[CAS# 157117-38-9]

Identification

• Name: 2-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)Pyridin-4-Yl]Methylamino]-3-(1H-Pyrrolo[5,4-b]Pyridin-3-Yl)Propanoic Acid
• Synonyms: 2-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Methylamino]-3-(1H-Pyrrolo[5,4-B]Pyridin-3-Yl)Propanoic Acid; 2-[[3-Hydroxy-2-Methyl-5-(Phosphonooxymethyl)-4-Pyridyl]Methylamino]-3-(1H-Pyrrolo[5,4-B]Pyridin-3-Yl)Propionic Acid; 5'-Phosphopyridoxyl-7-Azatryptophan
• Molecular Formula: C₁₈H₂₁N₄O₇P
• Molecular Weight: 436.36
• CAS Registry Number: 157117-38-9
• SMILES: C2=C(C1=CC=CN=C1[NH]2)CC(NCC3=C(O)C(=NC=C3CO[P](=O)(O)O)C)C(=O)O
• InChI: 1S/C18H21N4O7P/c1-10-16(23)14(12(7-20-10)9-29-30(26,27)28)8-21-15(18(24)25)5-11-6-22-17-13(11)3-2-4-19-17/h2-4,6-7,15,21,23H,5,8-9H2,1H3,(H,19,22)(H,24,25)(H2,26,27,28)
• InChIKey: BAIQWXUHBVQAML-UHFFFAOYSA-N

Properties

• Density: 1.586g/cm³ (Cal.)
• Boiling point: 843.156°C at 760 mmHg (Cal.)
• Flash point: 463.724°C (Cal.)