3-(2-Fluoroethyl)-3,6-Dihydrocytidine

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Properties Simple | Detailed

Formula C11H18FN3O5
IUPAC Name 6-amino-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1-(2-fluoroethyl)-4h-pyrimidin-2-one
Molecular Mass 291.276 g·mol−1
Heat of Formation -1026.7 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 321.66 Å 3
Surface Area 281.79 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3-(2-fluoroethyl)-6h-pyrimidin-2-one
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-fluoroethyl)-6h-pyrimidin-2-one
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-(2-fluoroethyl)-6h-pyrimidin-2-one
  • 4-amino-1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-3-(2-fluoroethyl)-6h-pyrimidin-2-one
  • cytidine, n,4-didehydro-3-(2-fluoroethyl)-3,4-dihydro-
  • fluoroethylcytidine
CAS Number(s)
  • 66401-15-8
InChIKey GWMCIZXKJHEBLD-PEBGCTIMSA-N
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