3'-{[(2-Chloroethyl)(Nitroso)Carbamoyl]Amino}-2',3'-Dideoxy-5-Fluorouridine

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Properties Simple | Detailed

Formula C12H15ClFN5O6
IUPAC Name 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]-1-nitroso-urea
Molecular Mass 379.729 g·mol−1
Heat of Formation -1021.6 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 393.4 Å 3
Surface Area 352.0 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]-1-nitroso-urea
  • 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-tetrahydrofuranyl]-1-nitrosourea
  • 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-1-nitroso-urea
  • 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]-1-nitroso-urea
  • 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-1-nitrosourea
  • 3'-(3-(2-chloroethyl)-3-nitrosoureido)-2',3'-dideoxy-5-fluorouridine
  • 3'-cfdunu
  • infusamine
  • uridine, 3'-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2',3'-dideoxy-5-fluoro-
CAS Number(s)
  • 96697-28-8
  • 96699-71-7
InChIKey AQMNBSBCJPFTAD-DJLDLDEBSA-N
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Elements C F H Cl O N