3'-{[(2-Chloroethyl)(Nitroso)Carbamoyl]Amino}-2',3'-Dideoxyuridine

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Formula C12H16ClN5O6
IUPAC Name 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]-1-nitroso-urea
Molecular Mass 361.738 g·mol−1
Heat of Formation -859.2 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 387.45 Å 3
Surface Area 347.34 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(2,4-diketopyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl]-1-nitroso-urea
  • 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(2,4-dioxo-1-pyrimidinyl)-2-(hydroxymethyl)-3-tetrahydrofuranyl]-1-nitrosourea
  • 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]-1-nitroso-urea
  • 1-(2-chloroethyl)-3-[(2s,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl]-1-nitroso-urea
  • 3' (3-(2-chloroethyl)-3-nitrosoureido)-2',3'-dideoxyuridine
  • 3'-cdunu
  • uridine, 3'-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2',3'-dideoxy-
CAS Number(s)
  • 96699-73-9
InChIKey GIJMSQHGQQNFEL-QXFUBDJGSA-N
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Elements H C N O Cl