Deoxy-(Adenylyl-Guanylyl-Cytidylyl-Thymidine)
[CAS# 91126-91-9]

Identification

• Name: Deoxy-(Adenylyl-Guanylyl-Cytidylyl-Thymidine)
• Synonyms: [(2S,3S,5R)-2-[1-[[(2R,3S,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl]-1-[[(2R,3S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy]-2-[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl
• Molecular Formula: C₃₉H₅₀N₁₅O₂₂P₃
• Molecular Weight: 1173.83
• CAS Registry Number: 91126-91-9
• SMILES: [C@@H]2(O[C@@H](N1C=C(C(=O)NC1=O)C)C[C@@H]2O[P](O[P](O[P](O)(O)=O)(O)=O)(O)=O)C(OC[C@H]4O[C@@H](N3C=CC(=NC3=O)N)C[C@@H]4O)(C[C@H]7O[C@@H]([N]5C6=C(N=C5)C(=O)N=C(N6)N)C[C@@H]7O)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)30(73-27)39(69-11-22-18(57)6-24(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)9-21-17(56)5-26(71-21)54-14-46-29-33(54
• InChIKey: KCBDZZAVMKWRCH-UFFQPUODSA-N

Properties

• Density: 2.249g/cm³ (Cal.)