N-{2-[(4-Azido-3,5,6-Trifluoro-2-Pyridinyl)Amino]Ethyl}Adenosine 5'-(Dihydrogen Phosphate)

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Formula C17H20F3N10O7P
IUPAC Name [(2r,3s,4r,5r)-5-[6-[2-(4-azido-3,5,6-trifluoro-pyridin-1-ium-3-id-2-yl)azanidylethylamino]purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 564.372 g·mol−1
Heat of Formation -1371.3 ± 16.7 kJ·mol−1
Dipole Moment 2.94 ± 1.08 D
Volume 566.42 Å 3
Surface Area 492.63 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, n-(2-((4-azido-3,5,6-trifluoro-2-pyridinyl)amino)ethyl)-
  • [(2r,3s,4r,5r)-5-[6-[2-[(4-azido-3,5,6-trifluoro-2-pyridyl)amino]ethylamino]-9-purinyl]-3,4-dihydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-[2-[(4-azido-3,5,6-trifluoro-2-pyridyl)amino]ethylamino]purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-[2-[(4-azido-3,5,6-trifluoro-pyridin-2-yl)amino]ethylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-[6-[2-[(4-azido-3,5,6-trifluoropyridin-2-yl)amino]ethylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • n(6)-(n((4-azido-3,5,6-trifluoro)pyridin-2-yl)-2-aminoethyl)adenosine 5'-monophosphate
  • n(6)-azido-tfp-amp
CAS Number(s)
  • 119304-29-9
InChIKey SVKFLRCQHUOPDJ-CEHHXFADSA-N
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