Adenosine triphosphate gamma-anilide
[CAS# 52830-41-8]

Identification

• Name: Adenosine triphosphate gamma-anilide
• Synonyms: [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-Phenyl-Phosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-N-Phenylphosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-Phenyl-Phosphonamidic Acid
• Molecular Formula: C₁₆H₂₁N₆O₁₂P₃
• Molecular Weight: 582.30
• CAS Registry Number: 52830-41-8
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)NC2=CC=CC=C2)(=O)O)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C16H21N6O12P3/c17-14-11-15(19-7-18-14)22(8-20-11)16-13(24)12(23)10(32-16)6-31-36(27,28)34-37(29,30)33-35(25,26)21-9-4-2-1-3-5-9/h1-5,7-8,10,12-13,16,23-24H,6H2,(H,27,28)(H,29,30)(H2,17,18,19)(H2,21,25,26)/t10-,12-,13-,16-/m1/s1
• InChIKey: WGONRKWYOCBBTI-XNIJJKJLSA-N

Properties

• Density: 2.176g/cm³ (Cal.)
• Boiling point: 923.853°C at 760 mmHg (Cal.)
• Flash point: 512.528°C (Cal.)