[(2R,3S,4R,5R)-5-(6-Amino-8-Azidopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate
[CAS# 134388-69-5]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Amino-8-Azidopurin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methyl [[(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-8-Azido-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-8-Azido-9-Purinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methyl [[(2R,3S,4R,5R)-5-(3-Carbamoyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-8-Azido-Purin-9-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methyl [[(2R,3S,4R,5R)-5-(3-Aminocarbonyl-4H-Pyridin-1-Yl)-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate
• Molecular Formula: C₂₁H₂₈N₁₀O₁₄P₂
• Molecular Weight: 706.46
• CAS Registry Number: 134388-69-5
• SMILES: [N+](=NC1=NC5=C([N]1[C@@H]2O[C@@H]([C@@H](O)[C@H]2O)CO[P](O[P](OC[C@H]4O[C@@H](N3C=C(CC=C3)C(=O)N)[C@H](O)[C@@H]4O)(=O)O)(=O)O)N=CN=C5N)=[N-]
• InChI: 1S/C21H28N10O14P2/c22-16-11-18(26-7-25-16)31(21(27-11)28-29-24)20-15(35)13(33)10(44-20)6-42-47(39,40)45-46(37,38)41-5-9-12(32)14(34)19(43-9)30-3-1-2-8(4-30)17(23)36/h1,3-4,7,9-10,12-15,19-20,32-35H,2,5-6H2,(H2,23,36)(H,37,38)(H,39,40)(H2,22,25,26)/t9-,10-,12-,13-,14-,15-,19-,20-/m1/s1
• InChIKey: TVIGBUPFTOPLFH-NAJQWHGHSA-N