4-Amino-5-Fluoro-1-[(2S,4S)-2-(Hydroxymethyl)-1,3-Dioxolan-4-Yl]-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C8H10FN3O4
IUPAC Name 4-amino-5-fluoro-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
Molecular Mass 231.181 g·mol−1
Heat of Formation -741.2 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 240.15 Å 3
Surface Area 228.07 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-1-[(2-hydroxymethyl)-1,4-dioxolan-4-yl]-5-fluorocytosine
  • (-)-fdoc
  • 2(1h)-pyrimidinone, 4-amino-5-fluoro-1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)-, (2s-cis)-
  • 4-amino-5-fluoro-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-2-pyrimidinone
  • 4-amino-5-fluoro-1-[(2s,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
  • 4-amino-5-fluoro-1-[(2s,4s)-2-methylol-1,3-dioxolan-4-yl]pyrimidin-2-one
  • 5-fhmed-cytosine
  • 5-fluoro-1-(2-(hydroxymethyl)-1,3-dioxolan-4-yl)cytosine
  • l-dofc
  • l-fdoc
CAS Number(s)
  • 145397-26-8
InChIKey RJKXXGNCKMQXTH-WDSKDSINSA-N
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