[[(2R,3S,4R,5R)-5-[6-[2-(4-Azidophenyl)Ethylamino]Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] 4-(3-Azidopyridin-1-Ium-1-Yl)Butyl Phosphate
[CAS 132210-01-6]

Identification

• Name: [[(2R,3S,4R,5R)-5-[6-[2-(4-Azidophenyl)Ethylamino]Purin-9-Yl]-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Hydroxyphosphoryl] 4-(3-Azidopyridin-1-Ium-1-Yl)Butyl Phosphate
• Synonyms: [[(2R,3S,4R,5R)-5-[6-[2-(4-Azidophenyl)Ethylamino]Purin-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] 4-(3-Azidopyridin-1-Ium-1-Yl)Butyl Phosphate; [[(2R,3S,4R,5R)-5-[6-[2-(4-Azidophenyl)Ethylamino]-9-Purinyl]-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Hydroxyphosphoryl] 4-(3-Azido-1-Pyridin-1-Iumyl)Butyl Phosphate; [[(2R,3S,4R,5R)-5-[6-[2-(4-Azidophenyl)Ethylamino]Purin-9-Yl]-3,4-Dihydroxy-Oxolan-2-Yl]Methoxy-Hydroxy-Phosphoryl] 4-(3-Azidopyridin-1-Ium-1-Yl)Butyl Phosphate
• Molecular Formula: C₂₇H₃₂N₁₂O₁₀P₂
• Molecular Weight: 746.57
• CAS Registry Number: 132210-01-6
• SMILES: [N+](=NC5=CC=C(CCNC1=NC=NC2=C1N=C[N]2[C@@H]3O[C@@H]([C@@H](O)[C@H]3O)CO[P](O[P](OCCCC[N+]4=CC=CC(=C4)N=[N+]=[N-])([O-])=O)(=O)O)C=C5)=[N-]
• InChI: 1S/C27H32N12O10P2/c28-36-34-19-7-5-18(6-8-19)9-10-30-25-22-26(32-16-31-25)39(17-33-22)27-24(41)23(40)21(48-27)15-47-51(44,45)49-50(42,43)46-13-2-1-11-38-12-3-4-20(14-38)35-37-29/h3-8,12,14,16-17,21,23-24,27,40-41H,1-2,9-11,13,15H2,(H2-,30,31,32,42,43,44,45)/t21-,23-,24-,27-/m1/s1
• InChIKey: OYQXJMCDIFUWHB-VBHAUSMQSA-N