4-Amino-1-[(2R,5S)-3-Fluoro-5-(Hydroxymethyl)-2,5-Dihydro-2-Furanyl]-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H10FN3O3
IUPAC Name 4-amino-1-[(2r,5s)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 227.192 g·mol−1
Heat of Formation -500.5 ± 16.7 kJ·mol−1
Dipole Moment 7.34 ± 1.08 D
Volume 241.33 Å 3
Surface Area 227.96 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2,3-dideoxy-2-fluoro-.beta.-d-glycero-pent-2-eno-furanosyl)cytosine
  • 2',3'-dideoxy-2',3'-didehydro-2'-fluorocytidine
  • 2'-fd4c
  • 2,3-ddfc
  • 4-amino-1-[(2r,5s)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-2-pyrimidinone
  • 4-amino-1-[(2r,5s)-3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,5s)-3-fluoro-5-methylol-2,5-dihydrofuran-2-yl]pyrimidin-2-one
  • cytidine, 2',3'-didehydro-2',3'-dideoxy-2'-fluoro-
  • d-2'-fd4cl .beta.-d-fd4c
CAS Number(s)
  • 122757-53-3
InChIKey KXCHLAARWGPSAG-YLWLKBPMSA-N
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