5'-Phosphorylthymidylyl(3'-5')deoxyadenosine
[CAS# 2147-15-1]

Identification

• Name: 5'-Phosphorylthymidylyl(3'-5')deoxyadenosine
• Synonyms: [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S)-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)-2-(Phosphonooxymethyl)-3-Tetrahydrofuranyl] [(2R,3S)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-1-Pyrimidinyl)-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S)-5-(2,4-Diketo-5-Methyl-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₀H₂₇N₇O₁₃P₂
• Molecular Weight: 635.42
• CAS Registry Number: 2147-15-1
• SMILES: N5(C1O[C@@H]([C@@H](O)C1)CO[P](O[C@@H]4[C@H](O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)N)C4)CO[P](=O)(O)O)(=O)O)C(=O)NC(=O)C(=C5)C
• InChI: 1S/C20H27N7O13P2/c1-9-4-26(20(30)25-19(9)29)14-2-10(28)12(38-14)5-37-42(34,35)40-11-3-15(39-13(11)6-36-41(31,32)33)27-8-24-16-17(21)22-7-23-18(16)27/h4,7-8,10-15,28H,2-3,5-6H2,1H3,(H,34,35)(H2,21,22,23)(H,25,29,30)(H2,31,32,33)/t10-,11-,12+,13+,14?,15+/m0/s1
• InChIKey: YRITVODHCMDVSY-VEGPOJNRSA-N

Properties

• Density: 2.125g/cm³ (Cal.)