4-Amino-1-(2-Deoxy-2-Fluoro-α-D-Arabinofuranosyl)-5-Methyl-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H14FN3O4
IUPAC Name 4-amino-1-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-3-ium-2-one
Molecular Mass 259.234 g·mol−1
Heat of Formation -842.1 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 286.19 Å 3
Surface Area 259.42 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-fluoro-5-methyl-1-beta-d-arabinosylcytosine
  • 2'-fluoro-5-methylarabino-furanosylcytosine
  • 2(1h)-pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-beta-d-arabinofuranosyl)-5-methyl-
  • 4-amino-1-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-2-pyrimidinone
  • 4-amino-1-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidin-2-one
  • 4-amino-1-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
  • 4-amino-1-[(2s,3s,4r,5r)-3-fluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
  • fmac
CAS Number(s)
  • 78636-53-0
InChIKey QZZJZXAWLQYJFK-AYHNYZOXSA-N
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