5-(2-Chloroethyl)-1-(2-Deoxy-2-Fluoro-β-D-Arabinofuranosyl)-2,4(1H,3H)-Pyrimidinedione

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Formula C11H14ClFN2O5++
IUPAC Name 5-(2-chloroethyl)-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 308.691 g·mol−1
Heat of Formation -1122.5 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 328.8 Å 3
Surface Area 285.96 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-chloroethyl)-1-(2-deoxy-2-fluoro-.beta.-d-arabinofuranosyl)pyrimidine-2,4(1h,3h)-dione
  • 5-(2-chloroethyl)-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-(2-chloroethyl)-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 5-(2-chloroethyl)-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-(2-chloroethyl)-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 5-(2-chloroethyl)-2'-fluoroarabinofuranosyluracil
  • cefau
CAS Number(s)
  • 90301-73-8
InChIKey ABXZJZASTZBCFC-IBCQBUCCSA-N
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