2',3'-O-(2,4,6-Trinitrophenyl) 8-azido-ATP
[CAS# 120218-67-9]

Identification

• Name: 2',3'-O-(2,4,6-Trinitrophenyl) 8-azido-ATP
• Synonyms: [(3Ar,4R,6R,6Ar)-4-(6-Amino-8-Azido-Purin-9-Yl)-1',2',4'-Trinitro-Spiro[3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-6-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Phosphate; [(3Ar,4R,6R,6Ar)-4-(6-Amino-8-Azido-9-Purinyl)-1',2',4'-Trinitro-6-Spiro[3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]Yl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Phosphate; 2,3-Tpaatp
• Molecular Formula: C₁₆H₁₅N₁₁O₁₉P₃
• Molecular Weight: 758.28
• CAS Registry Number: 120218-67-9
• SMILES: [N+](=NC1=NC5=C([N]1[C@@H]2O[C@@H]([C@H]3OC4(O[C@@H]23)C(=C([N+]([O-])=O)C=C([N+]([O-])=O)C4)[N+]([O-])=O)CO[P](O[P](O[P](=O)(O)O)(=O)O)([O-])=O)N=CN=C5N)=[N-]
• InChI: 1S/C16H16N11O19P3/c17-12-8-13(20-4-19-12)24(15(21-8)22-23-18)14-10-9(7(42-14)3-41-48(37,38)46-49(39,40)45-47(34,35)36)43-16(44-10)2-5(25(28)29)1-6(26(30)31)11(16)27(32)33/h1,4,7,9-10,14H,2-3H2,(H,37,38)(H,39,40)(H2,17,19,20)(H2,34,35,36)/p-1/t7-,9-,10-,14-,16?/m1/s1
• InChIKey: IWTOZZJRQNAEHP-SYVPZPJLSA-M