5'-O-{[2-(5-Fluoro-2,4-Dinitrophenyl)Hydrazino](Hydroxy)Phosphoryl}Adenosine

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Properties Simple | Detailed

Formula C16H17FN9O10P
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-n-[(5-fluoro-2,4-dinitrophenyl)amino]phosphonamidic acid
Molecular Mass 545.333 g·mol−1
Heat of Formation -1110.6 ± 16.7 kJ·mol−1
Dipole Moment 11.29 ± 1.08 D
Volume 540.05 Å 3
Surface Area 464.12 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-n-[(5-fluoro-2,4-dinitrophenyl)amino]phosphonamidic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-n-[(5-fluoro-2,4-dinitro-phenyl)amino]phosphonamidic acid
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-n-[(5-fluoro-2,4-dinitro-phenyl)amino]phosphonamidic acid
  • adenosine, 5'-(hydrogen 2-(5-fluoro-2,4-dinitrophenyl)phosphorohydrazidate)
  • adenosine-5-n'-(2,4-dinitro-5-fluorophenyl)phosphohydrazine
  • dnph-amp
CAS Number(s)
  • 135101-78-9
InChIKey NVHIPXVWGGOHPN-XNIJJKJLSA-N
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Elements C F H O N P