2-Amino-7-[4-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-6-Oxo-3H-Purin-9-Ium-7-Yl]Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-3H-Purin-9-Ium-6-One
[CAS# 74746-58-0]

Identification

• Name: 2-Amino-7-[4-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-6-Oxo-3H-Purin-9-Ium-7-Yl]Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Oxolan-2-Yl]-3H-Purin-9-Ium-6-One
• Synonyms: 2-Amino-7-[4-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-6-Oxo-3H-Purin-9-Ium-7-Yl]Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purin-9-Ium-6-One; 2-Amino-7-[4-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-6-Oxo-3H-Purin-9-Ium-7-Yl]Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(Hydroxymethyl)-2-Tetrahydrofuranyl]-3H-Purin-9-Ium-6-One; 2-Amino-7-[4-[2-Amino-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-6-Keto-3H-Purin-9-Ium-7-Yl]Butyl]-9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-Methylol-Tetrahydrofuran-2-Yl]-3H-Purin-9-Ium-6-One
• Molecular Formula: C₂₄H₃₄N₁₀O₁₀
• Molecular Weight: 622.59
• CAS Registry Number: 74746-58-0
• SMILES: [C@H]1(O[C@@H]([C@@H](O)[C@H]1O)CO)[N]2C6=C([N+](=C2)CCCC[N+]4=C[N]([C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO)C5=C4C(=O)N=C(N5)N)C(=O)N=C(N6)N
• InChI: 1S/C24H32N10O10/c25-23-27-17-11(19(41)29-23)31(7-33(17)21-15(39)13(37)9(5-35)43-21)3-1-2-4-32-8-34(18-12(32)20(42)30-24(26)28-18)22-16(40)14(38)10(6-36)44-22/h7-10,13-16,21-22,35-40H,1-6H2,(H4-2,25,26,27,28,29,30,41,42)/p+2/t9-,10-,13-,14-,15-,16-,21-,22-/m1/s1
• InChIKey: XVFDHWXINSBYAB-LAMCKDNKSA-P