2'-Deoxyadenylyl-(3'-5')-Thymidine
[CAS# 23339-47-1]

Identification

• Name: 2'-Deoxyadenylyl-(3'-5')-Thymidine
• Synonyms: [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(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-9-Purinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,5R)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₆N₇O₁₀P
• Molecular Weight: 555.44
• CAS Registry Number: 23339-47-1
• SMILES: [C@H]1(O[C@@H]([C@@H](O)C1)CO[P](OC[C@H]3O[C@@H](N2C(=O)NC(=O)C(=C2)C)C[C@@H]3O)(=O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C20H26N7O10P/c1-9-4-26(20(31)25-19(9)30)14-2-10(28)12(36-14)5-34-38(32,33)35-6-13-11(29)3-15(37-13)27-8-24-16-17(21)22-7-23-18(16)27/h4,7-8,10-15,28-29H,2-3,5-6H2,1H3,(H,32,33)(H2,21,22,23)(H,25,30,31)/t10-,11-,12+,13+,14+,15+/m0/s1
• InChIKey: DRHQKJKROQSOGW-BBZRCZKMSA-N

Properties

• Density: 1.999g/cm³ (Cal.)