({[(2R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-Fluoro-2,5-Dihydro-2-Furanyl]Oxy}Methyl)Phosphonic Acid

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Properties Simple | Detailed

Formula C10H11FN5O5P
IUPAC Name [(2r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
Molecular Mass 331.197 g·mol−1
Heat of Formation -937.7 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 324.9 Å 3
Surface Area 269.5 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,5r)-5-(6-amino-9-purinyl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
  • [(2r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethylphosphonic acid
  • fd4ap
  • gs9148
  • phosphonic acid, [[[(2r,5r)-5-(6-amino-9h-purin-9-yl)-4-fluoro-2,5-dihydro-2-furanyl]oxy]methyl]-
InChIKey MPSGQQOHTJUJKB-QUBYGPBYSA-N
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Elements C F H O N P