3'-O-(3-(2-Nitro-4-Azidophenyl)Propionyl)Adenosine Triphosphate
[CAS# 80220-04-8]

Identification

• Name: 3'-O-(3-(2-Nitro-4-Azidophenyl)Propionyl)Adenosine Triphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 3-(4-Azido-2-Nitro-Phenyl)Propanoate; 3-(4-Azido-2-Nitrophenyl)Propanoic Acid [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl] Ester; 3-(4-Azido-2-Nitro-Phenyl)Propionic Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₉H₂₂N₉O₁₆P₃
• Molecular Weight: 725.35
• CAS Registry Number: 80220-04-8
• SMILES: [N+](=NC4=CC=C(CCC(O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N)=O)C(=C4)[N+]([O-])=O)=[N-]
• InChI: 1S/C19H22N9O16P3/c20-17-14-18(23-7-22-17)27(8-24-14)19-15(30)16(12(41-19)6-40-46(36,37)44-47(38,39)43-45(33,34)35)42-13(29)4-2-9-1-3-10(25-26-21)5-11(9)28(31)32/h1,3,5,7-8,12,15-16,19,30H,2,4,6H2,(H,36,37)(H,38,39)(H2,20,22,23)(H2,33,34,35)/t12-,15-,16-,19-/m1/s1
• InChIKey: NZSMCVVLVBHMRL-BGIGGGFGSA-N