(2R,3R,4S,5R)-2-[2-Amino-7-(Oxido-Quinolin-4-Ylazaniumyl)-6-Oxo-3H-Purin-9-Ium-9-Yl]-4-Hydroxy-5-(Hydroxymethyl)Oxolan-3-Olate
[CAS# 137339-24-3]

Identification

• Name: (2R,3R,4S,5R)-2-[2-Amino-7-(Oxido-Quinolin-4-Ylazaniumyl)-6-Oxo-3H-Purin-9-Ium-9-Yl]-4-Hydroxy-5-(Hydroxymethyl)Oxolan-3-Olate
• Synonyms: (2R,3R,4S,5R)-2-[2-Amino-7-(Oxido-(4-Quinolyl)Ammonio)-6-Oxo-3H-Purin-9-Ium-9-Yl]-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-3-Olate; (2R,3R,4S,5R)-2-[2-Amino-7-(Oxido-(4-Quinolyl)Ammonio)-6-Oxo-3H-Purin-9-Ium-9-Yl]-4-Hydroxy-5-(Hydroxymethyl)-3-Tetrahydrofuranolate; (2R,3R,4S,5R)-2-[2-Amino-6-Keto-7-(Oxido-(4-Quinolyl)Ammonio)-3H-Purin-9-Ium-9-Yl]-4-Hydroxy-5-Methylol-Tetrahydrofuran-3-Olate
• Molecular Formula: C₁₉H₁₉N₇O₆
• Molecular Weight: 441.40
• CAS Registry Number: 137339-24-3
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1[O-])CO)[N+]4=C[N]([NH+]([O-])C2=CC=NC3=CC=CC=C23)C5=C4NC(=NC5=O)N
• InChI: 1S/C19H19N7O6/c20-19-22-16-13(17(30)23-19)25(8-24(16)18-15(29)14(28)12(7-27)32-18)26(31)11-5-6-21-10-4-2-1-3-9(10)11/h1-6,8,12,14-15,18,26-28H,7H2,(H3,20,22,23,30)/t12-,14-,15-,18-/m1/s1
• InChIKey: UCSQMPIKMWDRKW-SCFUHWHPSA-N