2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-7-(3,3,3-Trichloro-2-Hydroxypropyl)-3H-Purin-9-Ium-6-One
[CAS# 104783-28-0]

Identification

• Name: 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-7-(3,3,3-Trichloro-2-Hydroxypropyl)-3H-Purin-9-Ium-6-One
• Synonyms: 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-7-(3,3,3-Trichloro-2-Hydroxy-Propyl)-3H-Purin-9-Ium-6-One; 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-7-(3,3,3-Trichloro-2-Hydroxypropyl)-3H-Purin-9-Ium-6-One; 2-Amino-9-[(2R,4S,5R)-4-Hydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-7-(3,3,3-Trichloro-2-Hydroxy-Propyl)-3H-Purin-9-Ium-6-One
• Molecular Formula: C₁₃H₁₇Cl₃N₅O₅
• Molecular Weight: 429.67
• CAS Registry Number: 104783-28-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO)[N]2C3=C([N+](=C2)CC(O)C(Cl)(Cl)Cl)C(=O)N=C(N3)N
• InChI: 1S/C13H16Cl3N5O5/c14-13(15,16)7(24)2-20-4-21(8-1-5(23)6(3-22)26-8)10-9(20)11(25)19-12(17)18-10/h4-8,22-24H,1-3H2,(H2-,17,18,19,25)/p+1/t5-,6+,7?,8+/m0/s1
• InChIKey: NLOJBBJLQMQLLJ-CZLDRYSHSA-O