Atp gamma-Benzylamide
[CAS# 58026-10-1]

Identification

• Name: Atp gamma-Benzylamide
• Synonyms: [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-(Phenylmethyl)Phosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxy-N-(Phenylmethyl)Phosphonamidic Acid; [[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxy-N-(Benzyl)Phosphonamidic Acid
• Molecular Formula: C₁₇H₂₃N₆O₁₂P₃
• Molecular Weight: 596.32
• CAS Registry Number: 58026-10-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO[P](O[P](O[P](=O)(O)NCC2=CC=CC=C2)(=O)O)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C17H23N6O12P3/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(33-17)7-32-37(28,29)35-38(30,31)34-36(26,27)22-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,24-25H,6-7H2,(H,28,29)(H,30,31)(H2,18,19,20)(H2,22,26,27)/t11-,13-,14-,17-/m1/s1
• InChIKey: XNYHAYDDAXMWOW-LSCFUAHRSA-N

Properties

• Density: 2.103g/cm³ (Cal.)
• Boiling point: 936.823°C at 760 mmHg (Cal.)
• Flash point: 520.372°C (Cal.)