3-(1,3-Benzodioxol-5-Ylcarbonyl)-2'-Deoxy-5-Fluorouridine

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Properties Simple | Detailed

Formula C17H15FN2O8++
IUPAC Name 3-(1,3-benzodioxole-5-carbonyl)-5-fluoro-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 394.308 g·mol−1
Heat of Formation -1301.4 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 409.85 Å 3
Surface Area 353.76 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(1,3-benzodioxol-5-yl-oxomethyl)-5-fluoro-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 3-(1,3-benzodioxol-5-ylcarbonyl)-5-fluoro-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 3-(1,3-benzodioxole-5-carbonyl)-5-fluoro-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 3-(1,3-benzodioxole-5-carbonyl)-5-fluoro-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 3-(1,3-benzodioxole-5-carbonyl)-5-fluoro-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • tk 117
  • tk-117
  • uridine, 3-(1,3-benzodioxol-5-ylcarbonyl)-2'-deoxy-5-fluoro-
CAS Number(s)
  • 74234-11-0
InChIKey RYKZLRXDZMOBHD-ZLKJLUDKSA-N
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