5-(2-Chloroethyl)-2'-Deoxyuridine

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Properties Simple | Detailed

Formula C11H15ClN2O5++
IUPAC Name 5-(2-chloroethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 290.700 g·mol−1
Heat of Formation -948.4 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 317.44 Å 3
Surface Area 273.99 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-chloroethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-(2-chloroethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 5-(2-chloroethyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-(2-chloroethyl)-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 5-(2-chloroethyl)-6-hydroxy-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydropyrimidin-2-one
InChIKey UUSHUCRHZYSZKI-DJLDLDEBSA-N
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Elements H C N O Cl