Deoxy(thymidylic-adenylic-cytidylic-guanosine)
[CAS# 117489-85-7]

Identification

• Name: Deoxy(thymidylic-adenylic-cytidylic-guanosine)
• Synonyms: [(2R,3S,5R)-2-[2-[(2S,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]-2-[[(2R,3S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy]-3-[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Propyl]-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-2-[2-[(2S,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-Hydroxy-2-Tetrahydrofuranyl]-2-[[(2R,3S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methoxy]-3-[(2R,3S,5R)-5-(6-Amino-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Propyl]-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-3-Tetrahydrofuranyl] (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,5R)-2-[2-[(2S,3S,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]-2-[[(2R,3S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy]-3-[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Propyl]-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₃₉H₅₀N₁₅O₂₂P₃
• Molecular Weight: 1173.83
• CAS Registry Number: 117489-85-7
• SMILES: [C@@H]3(O[C@@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)C[C@@H]3O)C(OC[C@H]5O[C@@H](N4C=CC(=NC4=O)N)C[C@@H]5O)(C[C@H]7O[C@@H](N6C=C(C(=O)NC6=O)C)C[C@@H]7O[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O)C[C@H]%10O[C@@H]([N]9C8=NC=NC(=C8N=C9)N)C[C@@H]%10O
• InChI: 1S/C39H50N15O22P3/c1-15-10-52(38(61)50-34(15)58)27-7-19(74-78(65,66)76-79(67,68)75-77(62,63)64)21(71-27)9-39(69-11-22-17(56)5-24(72-22)51-3-2-23(40)47-37(51)60,8-20-16(55)4-25(70-20)53-13-45-28-31(41)43-12-44-32(28)53)30-18(57)6-26(73-30)54-14-46-29-33(54)48-36(42)49-35(29)59/h2-3,10,12-14,16-22,24-27,30,55-57H,4-9,11H2,1H3,(H,65,66)(H,67,68)(H2,40,47,60)(H2,41,43,44)(H,50,58,61)(H2,62,63,64)(H3,42,48,49,59)/t16-,17-,18-,19-,20+,21+,22+,24+,25+,26+,27+,30-,39?/m0/s1
• InChIKey: YQAPYMRZMZFFPA-UFFQPUODSA-N

Properties

• Density: 2.249g/cm³ (Cal.)