3'-O-(4(N-(4-Azido-2-nitrophenyl)amino)butyryl)adenosine 5'-diphosphate
[CAS# 64655-48-7]

Identification

• Name: 3'-O-(4(N-(4-Azido-2-nitrophenyl)amino)butyryl)adenosine 5'-diphosphate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] 4-[(4-Azido-2-Nitro-Phenyl)Amino]Butanoate; 4-[(4-Azido-2-Nitrophenyl)Amino]Butanoic Acid [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxyphosphoryl)Oxymethyl]-3-Tetrahydrofuranyl] Ester; 4-[(4-Azido-2-Nitro-Phenyl)Amino]Butyric Acid [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-4-Hydroxy-2-[(Hydroxy-Phosphonooxy-Phosphoryl)Oxymethyl]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₂₀H₂₄N₁₀O₁₃P₂
• Molecular Weight: 674.42
• CAS Registry Number: 64655-48-7
• SMILES: [N+](=NC4=CC=C(NCCCC(O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O[P](=O)(O)O)(=O)O)[N]2C3=C(N=C2)C(=NC=N3)N)=O)C(=C4)[N+]([O-])=O)=[N-]
• InChI: 1S/C20H24N10O13P2/c21-18-15-19(25-8-24-18)29(9-26-15)20-16(32)17(13(41-20)7-40-45(38,39)43-44(35,36)37)42-14(31)2-1-5-23-11-4-3-10(27-28-22)6-12(11)30(33)34/h3-4,6,8-9,13,16-17,20,23,32H,1-2,5,7H2,(H,38,39)(H2,21,24,25)(H2,35,36,37)/t13-,16-,17-,20-/m1/s1
• InChIKey: YTAVNNUJTVNNFN-AEVYOOLXSA-N