3'-O-(5-Fluoro-2,4-Dinitrophenyl)Atp Ether
[CAS# 117414-71-8]

Identification

• Name: 3'-O-(5-Fluoro-2,4-Dinitrophenyl)Atp Ether
• Synonyms: [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3-(5-Fluoro-2,4-Dinitro-Phenoxy)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Amino-9-Purinyl)-3-(5-Fluoro-2,4-Dinitrophenoxy)-4-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3-(5-Fluoro-2,4-Dinitro-Phenoxy)-4-Hydroxy-Oxolan-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₁₆H₁₇FN₇O₁₇P₃
• Molecular Weight: 691.27
• CAS Registry Number: 117414-71-8
• SMILES: [C@H]2(O[C@@H]([C@@H](OC1=CC(=C([N+]([O-])=O)C=C1[N+]([O-])=O)F)[C@H]2O)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)[N]3C4=C(N=C3)C(=NC=N4)N
• InChI: 1S/C16H17FN7O17P3/c17-6-1-9(8(24(28)29)2-7(6)23(26)27)38-13-10(3-37-43(33,34)41-44(35,36)40-42(30,31)32)39-16(12(13)25)22-5-21-11-14(18)19-4-20-15(11)22/h1-2,4-5,10,12-13,16,25H,3H2,(H,33,34)(H,35,36)(H2,18,19,20)(H2,30,31,32)/t10-,12-,13-,16-/m1/s1
• InChIKey: XNUBAOJRQSJYRM-XNIJJKJLSA-N

Properties

• Density: 2.447g/cm³ (Cal.)
• Boiling point: 1071.647°C at 760 mmHg (Cal.)
• Flash point: 601.91°C (Cal.)