5'-O-{[4-(Fluorosulfonyl)Phenoxy](Hydroxy)Phosphoryl}Adenosine

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Properties Simple | Detailed

Formula C16H17FN5O9PS
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (4-fluorosulfonylphenyl) hydrogen phosphate
Molecular Mass 505.371 g·mol−1
Heat of Formation -1719.9 ± 16.7 kJ·mol−1
Dipole Moment 10.01 ± 1.08 D
Volume 501.63 Å 3
Surface Area 428.38 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -1.15 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, mono(4-(fluorosulfonyl)phenyl) ester
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (4-fluorosulfonylphenyl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (4-fluorosulfonylphenyl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (4-fluorosulfonylphenyl) hydrogen phosphate
  • adenosine-5'-(4-fluorosulfonylphenylphosphate)
  • apfspp
CAS Number(s)
  • 60397-89-9
InChIKey KEAQYRFZVLMXRW-XNIJJKJLSA-N
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