5'-O-[{[(4-Azidophenoxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C16H18N8O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(4-azidophenoxy)-hydroxyphosphoryl] hydrogen phosphate
Molecular Mass 544.309 g·mol−1
Heat of Formation -1788.7 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 538.79 Å 3
Surface Area 406.52 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • 4-apad
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [(4-azidophenoxy)-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [(4-azidophenoxy)-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(4-azidophenoxy)-hydroxy-phosphoryl] hydrogen phosphate
  • adenosine 5'-(trihydrogen diphosphate), p'-(4-azidophenyl) ester
  • beta-(4-azidophenyl)adenosine 5'-diphosphate
CAS Number(s)
  • 76611-59-1
InChIKey OPMKAKQNACVKTE-XNIJJKJLSA-N
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