[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-2-[[[(4-Azidophenoxy)-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-4-Hydroxyoxolan-3-Yl] [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
[CAS# 76444-18-3]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-2-[[[(4-Azidophenoxy)-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-4-Hydroxyoxolan-3-Yl] [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-2-[[[(4-Azidophenoxy)-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-2-[[[(4-Azidophenoxy)-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl]Oxymethyl]-4-Hydroxy-3-Tetrahydrofuranyl] [(2R,3S,4R,5R)-5-(2,4-Dioxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-2-[[[(4-Azidophenoxy)-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-4-Hydroxy-Tetrahydrofuran-3-Yl] [(2R,3S,4R,5R)-5-(2,4-Diketopyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate
• Molecular Formula: C₂₅H₂₉N₁₀O₁₈P₃
• Molecular Weight: 850.48
• CAS Registry Number: 76444-18-3
• SMILES: [N+](=NC6=CC=C(O[P](O[P](OC[C@H]3O[C@@H]([N]1C2=C(N=C1)C(=NC=N2)N)[C@H](O)[C@@H]3O[P](OC[C@H]5O[C@@H](N4C(=O)NC(=O)C=C4)[C@H](O)[C@@H]5O)(=O)O)(=O)O)(=O)O)C=C6)=[N-]
• InChI: 1S/C25H29N10O18P3/c26-21-16-22(29-9-28-21)35(10-30-16)24-19(39)20(14(50-24)8-48-55(43,44)53-56(45,46)51-12-3-1-11(2-4-12)32-33-27)52-54(41,42)47-7-13-17(37)18(38)23(49-13)34-6-5-15(36)31-25(34)40/h1-6,9-10,13-14,17-20,23-24,37-39H,7-8H2,(H,41,42)(H,43,44)(H,45,46)(H2,26,28,29)(H,31,36,40)/t13-,14-,17-,18-,19-,20-,23-,24-/m1/s1
• InChIKey: HZEKZNNVGVLXHW-UYYQOESLSA-N