[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3R,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-4-Fluoro-2-(Hydroxymethyl)Tetrahydro-3-Furanyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C19H24FN7O11P
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(6-λ1-azanylpurin-9-yl)tetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-5-(2,6-dioxo-4,5-dihydropyrimidin-1-ium-4-ylium-5-id-3-yl)-4-fluoro-2-(oxidomethyl)tetrahydrofuran-3-yl] phosphate
Molecular Mass 576.406 g·mol−1
Heat of Formation -2136.8 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 587.29 Å 3
Surface Area 477.9 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-2'-fluorouridilyl(3'-5')adenosine
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [(2r,3r,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-4-fluoro-2-(hydroxymethyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [(2r,3r,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-4-fluoro-2-methylol-tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2r,3r,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate
  • adenosine, 2'-deoxy-2'-fluorouridylyl-(3'-5'-)-
CAS Number(s)
  • 55652-39-6
InChIKey VCOLJADLJLQBQU-YRHMQFFASA-N
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