5-Fluoro-5'-O-Octanoyluridine

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Properties Simple | Detailed

Formula C17H25FN2O7++
IUPAC Name [(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl octanoate
Molecular Mass 388.388 g·mol−1
Heat of Formation -1522.6 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 454.73 Å 3
Surface Area 380.44 Å 2
HOMO Energy -10.02 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-octanoyl fdurd
  • 5'-octanoyl-5-fluoro-2'-deoxyuridine
  • [(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl octanoate
  • [(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl octanoate
  • [(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl octanoate
  • caprylic acid [(2r,3s,4r,5r)-5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • octanoic acid [(2r,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • uridine, 2'-deoxy-5-fluoro-, 5'-octanoate
CAS Number(s)
  • 118694-10-3
InChIKey UPKOVIISKGPRGG-XKVFNRALSA-N
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