Thymidylyl-(5'-3')-2'-deoxy-5'-Guanylic acid complex with 2'-deoxycytidylyl-(5'-3')-2'-deoxy-5'-adenylic acid
[CAS# 57683-27-9]

Identification

• Name: Thymidylyl-(5'-3')-2'-deoxy-5'-Guanylic acid complex with 2'-deoxycytidylyl-(5'-3')-2'-deoxy-5'-adenylic acid
• Synonyms: [(2R,3S,5R)-5-(6-Amino-7,8-Dihydropurin-9-Yl)-2-Phosphonooxy-Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)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,5R)-5-(6-Amino-7,8-Dihydropurin-9-Yl)-2-Phosphonooxy-3-Tetrahydrofuranyl] [(2R,3S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)-3-Tetrahydrofuranyl] [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Amino-7,8-Dihydropurin-9-Yl)-2-Phosphonooxy-Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-2-(Phosphonooxymethyl)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: C₃₈H₅₃N₁₅O₂₆P₄
• Molecular Weight: 1259.82
• CAS Registry Number: 57683-27-9
• SMILES: [C@H]3(O[C@@H]([C@@H](O[P](OC[C@H]2O[C@@H](N1C(=O)NC(=O)C(=C1)C)C[C@@H]2O)(=O)O)C3)CO[P](=O)(O)O)[N]4C5=C(N=C4)C(=O)N=C(N5)N.[C@H]8(O[C@H](O[P](=O)(O)O)[C@@H](O[P](OC[C@H]7O[C@@H](N6C(=O)N=C(N)C=C6)C[C@@H]7O)(=O)O)C8)N9C%10=C(NC9)C(=NC=N%10)N
• InChI: 1S/C20H27N7O14P2.C18H26N8O12P2/c1-8-4-26(20(31)25-17(8)29)13-2-9(28)11(39-13)5-38-43(35,36)41-10-3-14(40-12(10)6-37-42(32,33)34)27-7-22-15-16(27)23-19(21)24-18(15)30;19-11-1-2-25(18(28)24-11)12-3-8(27)10(35-12)5-34-40(32,33)37-9-4-13(36-17(9)38-39(29,30)31)26-7-23-14-15(20)21-6-22-16(14)26/h4,7,9-14,28H,2-3,5-6H2,1H3,(H,35,36)(H,25,29,31)(H2,32,33,34)(H3,21,23,24,30);1-2,6,8-10,12-13,17,23,27H,3-5,7H2,(H,32,33)(H2,19,24,28)(H2,20,21,22)(H2,29,30,31)/t9-,10-,11+,12+,13+,14+;8-,9-,10+,12+,13+,17+/m00/s1
• InChIKey: SBHGPTLLBHYHBR-DPRHSKOZSA-N