5-Fluoro-1-[(2R,5S)-2-(Hydroxymethyl)-1,3-Oxathiolan-5-Yl]-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C8H9FN2O4S
IUPAC Name 5-fluoro-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Molecular Mass 248.231 g·mol−1
Heat of Formation -779.5 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 255.0 Å 3
Surface Area 232.35 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2',3',5-ftu
  • 2',3'-dideoxy-5-fluoro-3'-thiauridine
  • 2,4(1h,3h)-pyrimidinedione, 5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2r-cis)-
  • 2,4(1h,3h)-pyrimidinedione, 5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, cis-(+-)-
  • 2,4(1h,3h)-pyrimidinedione, 5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2r-cis)-
  • 5-fluoro-1-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
  • 5-fluoro-1-[(2r,5s)-2-methylol-1,3-oxathiolan-5-yl]pyrimidine-2,4-quinone
  • oxathiolan 5fu-.b.
  • oxathiolan 5fu-beta
CAS Number(s)
  • 145986-11-4
  • 143790-05-0
InChIKey KOGYOPLNKQJQFM-NTSWFWBYSA-N
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