[(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-(Phosphonooxymethyl)Oxolan-3-Yl] [(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
[CAS# 34607-75-5]

Identification

• Name: [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-(Phosphonooxymethyl)Oxolan-3-Yl] [(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3-Hydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
• Synonyms: [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Amino-9-Purinyl)-2-(Phosphonooxymethyl)-3-Tetrahydrofuranyl] [(2R,3S,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3-Hydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,5R)-5-(6-Aminopurin-9-Yl)-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₁₉H₂₅N₇O₁₃P₂
• Molecular Weight: 621.39
• CAS Registry Number: 34607-75-5
• 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@@H]2O)(=O)O)C3)CO[P](=O)(O)O)[N]4C5=C(N=C4)C(=NC=N5)N
• InChI: 1S/C19H25N7O13P2/c20-17-16-18(22-7-21-17)26(8-23-16)15-4-10(12(38-15)6-35-40(30,31)32)39-41(33,34)36-5-11-9(27)3-14(37-11)25-2-1-13(28)24-19(25)29/h1-2,7-12,14-15,27H,3-6H2,(H,33,34)(H2,20,21,22)(H,24,28,29)(H2,30,31,32)/t9-,10-,11+,12+,14+,15+/m0/s1
• InChIKey: DNCUBWCOSZRGTK-IDMWBNCISA-N

Properties

• Density: 2.189g/cm³ (Cal.)