Ent-Emtricitabine

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Formula C8H9FN2O4S++
IUPAC Name 5-fluoro-1-[(2s,5r)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
Molecular Mass 248.231 g·mol−1
Heat of Formation -789.9 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 252.21 Å 3
Surface Area 227.22 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(2s,5r)-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)uracil
  • (+)-(2s,5r)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]uracil
  • (-)-(2s,5s)-5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)uracil
  • (-)-(2s,5s)-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]uracil
  • 2'-deoxy-5-fluoro-3'-thiauridine
  • 2,4(1h,3h)-pyrimidinedione, 5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2s-cis)-
  • 2,4(1h,3h)-pyrimidinedione, 5-fluoro-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-, (2s-trans)-
  • 2,4(1h,3h)-pyrimidinedione, 5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2s-cis)-
  • 2,4(1h,3h)-pyrimidinedione, 5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-, (2s-trans)-
  • 5-f sddu, 5-fsddu
  • 5-fluoro-1-[(2s,5r)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidine-2,4-dione
  • 5-fluoro-1-[(2s,5r)-2-methylol-1,3-oxathiolan-5-yl]pyrimidine-2,4-quinone
  • dls-027
  • oxathiolan, 5fu-(+)-beta
  • oxathiolan, 5fu-(+).b.
  • oxathiolan, 5fu-(-)-alpha
  • oxathiolan, 5fu-(-).a.
CAS Number(s)
  • 149819-47-6
  • 145281-92-1
InChIKey KOGYOPLNKQJQFM-RITPCOANSA-N
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