[(2R,5R)-5-(6-Aminopurin-9-Yl)-4-Fluoro-2,5-Dihydrofuran-2-Yl]Oxymethyl-[Hydroxy(Phosphonooxy)Phosphoryl]Oxy-Phosphinic Acid

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Properties Simple | Detailed

Formula C10H13FN5O11P3
IUPAC Name [(2r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
Molecular Mass 491.157 g·mol−1
Heat of Formation -2680.0 ± 16.7 kJ·mol−1
Dipole Moment 1.94 ± 1.08 D
Volume 455.14 Å 3
Surface Area 374.01 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -1.29 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,5r)-5-(6-amino-9-purinyl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-(hydroxy-phosphonooxyphosphoryl)oxyphosphinic acid
  • [(2r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid
InChIKey VWRYHMYAWKXIKG-QUBYGPBYSA-N
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