3'-O-(5-Fluoro-2,4-Dinitrophenyl)Adenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C16H17FN7O17P3
IUPAC Name [[(2r,3r)-2-[[(5e)-4-cyano-5-cyanoimino-imidazol-1-yl]methoxy]-3-[(z)-1-(2-fluoroethynyl)-2,4-dinitro-but-1-en-3-ynoxy]-4-oxo-butoxy]-oxido-phosphoryl] (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate
Molecular Mass 691.263 g·mol−1
Heat of Formation -3119.5 ± 16.7 kJ·mol−1
Dipole Moment 11.53 ± 1.08 D
Volume 643.57 Å 3
Surface Area 516.59 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 3'(o)-(5-fluoro-2,4-dinitrophenyl)adenosine triphosphate ether
  • 3'-o-(5-fluoro-2,4-dinitrophenyl)atp ether
  • [(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
  • [(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-aminopurin-9-yl)-3-(5-fluoro-2,4-dinitrophenoxy)-4-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • adenosine 5'-(tetrahydrogen triphosphate), 3'-o-(5-fluoro-2,4-dinitrophenyl)-
  • fdnp-atpe
CAS Number(s)
  • 117414-71-8
InChIKey XNUBAOJRQSJYRM-XNIJJKJLSA-N
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