[[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Phosphonooxyphosphoryl]Oxy-N-[(2S)-1-[(4-Azidophenyl)Amino]-3-(4-Hydroxy-3-Iodophenyl)-1-Oxopropan-2-Yl]Phosphonamidic Acid
[CAS# 129592-79-6]

Identification

• Name: [[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy-Phosphonooxyphosphoryl]Oxy-N-[(2S)-1-[(4-Azidophenyl)Amino]-3-(4-Hydroxy-3-Iodophenyl)-1-Oxopropan-2-Yl]Phosphonamidic Acid
• Synonyms: [[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Phosphonooxy-Phosphoryl]Oxy-N-[(1S)-2-[(4-Azidophenyl)Amino]-1-[(4-Hydroxy-3-Iodo-Phenyl)Methyl]-2-Oxo-Ethyl]Phosphonamidic Acid; [[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purin-9-Yl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy-Phosphonooxyphosphoryl]Oxy-N-[(1S)-2-[(4-Azidophenyl)Amino]-1-[(4-Hydroxy-3-Iodophenyl)Methyl]-2-Oxoethyl]Phosphonamidic Acid; [[(2R,3S,4R,5R)-5-(2-Amino-6-Keto-3H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Phosphonooxy-Phosphoryl]Oxy-N-[(1S)-2-[(4-Azidophenyl)Amino]-1-(4-Hydroxy-3-Iodo-Benzyl)-2-Keto-Ethyl]Phosphonamidic Acid
• Molecular Formula: C₂₅H₂₈IN₁₀O₁₅P₃
• Molecular Weight: 928.38
• CAS Registry Number: 129592-79-6
• SMILES: [N+](=NC5=CC=C(NC(=O)[C@@H](N[P](O[P](OC[C@H]3O[C@@H]([N]1C2=C(N=C1)C(=O)N=C(N2)N)[C@H](O)[C@@H]3O)(O[P](O)(O)=O)=O)(O)=O)CC4=CC(=C(O)C=C4)I)C=C5)=[N-]
• InChI: 1S/C25H28IN10O15P3/c26-14-7-11(1-6-16(14)37)8-15(22(40)30-12-2-4-13(5-3-12)33-35-28)34-52(42,43)50-54(47,51-53(44,45)46)48-9-17-19(38)20(39)24(49-17)36-10-29-18-21(36)31-25(27)32-23(18)41/h1-7,10,15,17,19-20,24,37-39H,8-9H2,(H,30,40)(H2,34,42,43)(H2,44,45,46)(H3,27,31,32,41)/t15-,17+,19+,20+,24+,54?/m0/s1
• InChIKey: OBGZENGHHQCKOR-SKHSKYBUSA-N