[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(9H-Imidazo[2,1-f]Purin-6-Ium-3-Yl)Oxolan-2-Yl]Methyl [[(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate Chloride
[CAS# 38628-24-9]

Identification

• Name: [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(9H-Imidazo[2,1-f]Purin-6-Ium-3-Yl)Oxolan-2-Yl]Methyl [[(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxobenzo[g]Pteridin-10-Yl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate Chloride
• Synonyms: [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(9H-Imidazo[2,1-F]Purin-6-Ium-3-Yl)Tetrahydrofuran-2-Yl]Methyl [[(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate Chloride; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(9H-Imidazo[2,1-F]Purin-6-Ium-3-Yl)-2-Tetrahydrofuranyl]Methyl [[(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-10-Benzo[G]Pteridinyl)-2,3,4-Trihydroxypentoxy]-Hydroxyphosphoryl] Hydrogen Phosphate Chloride; [(2R,3S,4R,5R)-3,4-Dihydroxy-5-(9H-Imidazo[2,1-F]Purin-6-Ium-3-Yl)Tetrahydrofuran-2-Yl]Methyl [[(2S,3R,4R)-5-(2,4-Diketo-7,8-Dimethyl-Benzo[G]Pteridin-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Hydroxy-Phosphoryl] Hydrogen Phosphate Chloride
• Molecular Formula: C₂₉H₃₄ClN₉O₁₅P₂
• Molecular Weight: 846.04
• CAS Registry Number: 38628-24-9
• SMILES: [C@@H]1(O)[C@H](O)[C@H](O[C@H]1[N]2C3=C(N=C2)C4=[N+](C=N3)C=C[NH]4)CO[P](O[P](OC[C@H](O)[C@H](O)[C@H](O)CN5C7=C(N=C6C5=NC(=O)NC6=O)C=C(C(=C7)C)C)(O)=O)(O)=O.[Cl-]
• InChI: 1S/C29H33N9O15P2.ClH/c1-12-5-14-15(6-13(12)2)37(26-20(33-14)27(44)35-29(45)34-26)7-16(39)21(41)17(40)8-50-54(46,47)53-55(48,49)51-9-18-22(42)23(43)28(52-18)38-11-31-19-24-30-3-4-36(24)10-32-25(19)38;/h3-6,10-11,16-18,21-23,28,39-43H,7-9H2,1-2H3,(H3,35,44,45,46,47,48,49);1H/t16-,17+,18-,21-,22-,23-,28-;/m1./s1
• InChIKey: JLWOWKGKKFQUID-ZBMPBUKJSA-N