Deoxy(Cytidylyl-Guanylyl-Thymidylic Acid)
[CAS# 71002-61-4]

Identification

• Name: Deoxy(Cytidylyl-Guanylyl-Thymidylic Acid)
• Synonyms: [(2R,3S)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[[[(2R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-[[[(2R,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-2-(Hydroxymethyl)-3-Tetrahydrofuranyl]Oxy-Hydroxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl] [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-2-[[[(2R,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-2-Methylol-Tetrahydrofuran-3-Yl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₉H₃₈N₁₀O₁₇P₂
• Molecular Weight: 860.62
• CAS Registry Number: 71002-61-4
• SMILES: [N]1(C2=C(N=C1)C(=O)N=C(N2)N)C5O[C@@H]([C@@H](O[P](OC[C@H]4O[C@@H](N3C(=O)NC(=O)C(=C3)C)C[C@@H]4O)(=O)O)C5)CO[P](OC7[C@H](O[C@@H](N6C(=O)N=C(N)C=C6)C7)CO)(=O)O
• InChI: 1S/C29H38N10O17P2/c1-12-7-38(29(45)36-25(12)42)20-4-13(41)17(53-20)9-50-57(46,47)56-15-6-22(39-11-32-23-24(39)34-27(31)35-26(23)43)54-18(15)10-51-58(48,49)55-14-5-21(52-16(14)8-40)37-3-2-19(30)33-28(37)44/h2-3,7,11,13-18,20-22,40-41H,4-6,8-10H2,1H3,(H,46,47)(H,48,49)(H2,30,33,44)(H,36,42,45)(H3,31,34,35,43)/t13-,14?,15-,16+,17+,18+,20+,21+,22?/m0/s1
• InChIKey: YOBFKXOSKVFYQU-JMHRVALTSA-N