2',3'-O-(2,4,6-Trinitrocyclohexadienylidene)Guanosine 5'-Triphosphate
[CAS# 97122-52-6]

Identification

• Name: 2',3'-O-(2,4,6-Trinitrocyclohexadienylidene)Guanosine 5'-Triphosphate
• Synonyms: [[[(3Ar,6R,6Ar)-4-(2-Amino-6-Oxo-3H-Purin-9-Yl)-1',3',5'-Trinitro-Spiro[3A,4,6,6A-Tetrahydrofuro[3,4-D][1,3]Dioxole-2,6'-Cyclohexa-1,3-Diene]-6-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl] Hydrogen Phosphate; [[[(3Ar,6R,6Ar)-4-(2-Amino-6-Oxo-3H-Pu
• Molecular Formula: C₁₆H₁₆N₈O₂₀P₃
• Molecular Weight: 733.27
• CAS Registry Number: 97122-52-6
• SMILES: [N]4(C1O[C@@H]([C@H]2OC3(O[C@@H]12)C(=CC(=CC3[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)CO[P](O[P](O[P]([O-])(=O)O)(=O)O)(=O)O)C5=C(N=C4)C(=O)N=C(N5)N
• InChI: 1S/C16H17N8O20P3/c17-15-19-12-9(13(25)20-15)18-4-21(12)14-11-10(6(40-14)3-39-46(35,36)44-47(37,38)43-45(32,33)34)41-16(42-11)7(23(28)29)1-5(22(26)27)2-8(16)24(30)31/h1-2,4,6-7,10-11,14H,3H2,(H,35,36)(H,37,38)(H2,32,33,34)(H3,17,19,20,25)/p-1/t6-,7?,10-,11
• InChIKey: QJCRYFKGOZNVMS-BBHVRIIDSA-M

Properties

• Boiling point: 1162.667°C at 760 mmHg (Cal.)
• Flash point: 656.958°C (Cal.)