9-(2-Deoxy-2-Fluoro-5-O-Phosphono-β-D-Arabinofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H13FN5O6P
IUPAC Name [(2r,3r,4s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 349.212 g·mol−1
Heat of Formation -1306.8 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 342.8 Å 3
Surface Area 302.91 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3r,4s,5r)-5-(6-amino-9-purinyl)-4-fluoro-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4s,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey WMEBOUQKZKATDW-GQTRHBFLSA-N
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Elements C F H O N P