2',3'-O-(2,4,6-Trinitro-cyclohexadienylidine)adenosine 5'-triphosphate
[CAS# 61368-63-6]

Identification

• Name: 2',3'-O-(2,4,6-Trinitro-cyclohexadienylidine)adenosine 5'-triphosphate
• Synonyms: [[[6'-(6-Amino-5H-Purin-9-Ium-9-Yl)-1,3,5-Trinitro-Spiro[Cyclohexa-1,3-Diene-6,2'-Furo[3,4-D][1,3]Dioxole]-4'-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Phosphate; [[[6'-(6-Amino-5H-Purin-9-Ium-9-Yl)-1,3,5-Trinitro-4'-Spiro[Cyclohexa-1,3-Diene-6,2'-Furo[3,4-D][1,3]Dioxole]Yl]Methoxy-Hydroxyphosphoryl]Oxy-Hydroxyphosphoryl] Phosphate; 2',3'-O-(2,4,6-Trinitro-Cyclohexadienylidine)Adenosine 5'-Triphosphate
• Molecular Formula: C₁₆H₁₂N₈O₁₉P₃
• Molecular Weight: 713.23
• CAS Registry Number: 61368-63-6
• SMILES: C2(=C1OC3(OC1=C(O2)CO[P](O[P](O[P]([O-])([O-])=O)(=O)O)(=O)O)C(=CC(=CC3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)N5C4=NC=NC(=[NH2+])C4N=C5
• InChI: 1S/C16H13N8O19P3/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(39-15)3-38-45(34,35)43-46(36,37)42-44(31,32)33)40-16(41-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-5,8,10,17H,3H2,(H,34,35)(H,36,37)(H2,31,32,33)/p-1
• InChIKey: SWLXZTUOMCLGJI-UHFFFAOYSA-M