[(2R,3S,4R,5R)-5-(6-Amino-8-Azidopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]Oxolan-3-Yl] 5-Azido-2-Nitrobenzoate
[CAS# 129391-97-5]

Identification

• Name: [(2R,3S,4R,5R)-5-(6-Amino-8-Azidopurin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]Oxolan-3-Yl] 5-Azido-2-Nitrobenzoate
• Synonyms: [(2R,3S,4R,5R)-5-(6-Amino-8-Azido-Purin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] 5-Azido-2-Nitro-Benzoate; 5-Azido-2-Nitrobenzoic Acid [(2R,3S,4R,5R)-5-(6-Amino-8-Azido-9-Purinyl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxyphosphoryl)Oxyphosphoryl]Oxymethyl]-3-Tetrahydrofuranyl] Ester; 5-Azido-2-Nitro-Benzoic Acid [(2R,3S,4R,5R)-5-(6-Amino-8-Azido-Purin-9-Yl)-4-Hydroxy-2-[[Hydroxy-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphoryl]Oxymethyl]Tetrahydrofuran-3-Yl] Ester
• Molecular Formula: C₁₇H₁₇N₁₂O₁₆P₃
• Molecular Weight: 738.31
• CAS Registry Number: 129391-97-5
• SMILES: [C@@H]1(CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[C@H]([C@@H](O)[C@@H](O1)[N]2C(=NC3=C2N=CN=C3N)N=[N+]=[N-])OC(C4=CC(=CC=C4[N+](=O)[O-])N=[N+]=[N-])=O
• InChI: 1S/C17H17N12O16P3/c18-13-10-14(22-5-21-13)28(17(23-10)25-27-20)15-11(30)12(43-16(31)7-3-6(24-26-19)1-2-8(7)29(32)33)9(42-15)4-41-47(37,38)45-48(39,40)44-46(34,35)36/h1-3,5,9,11-12,15,30H,4H2,(H,37,38)(H,39,40)(H2,18,21,22)(H2,34,35,36)/t9-,11-,12-,15-/m1/s1
• InChIKey: WQKDGRLVQXNEBZ-SDBHATRESA-N