5-(2-Bromoethyl)-1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H15BrN2O5
IUPAC Name 5-(2-bromoethyl)-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 335.151 g·mol−1
Heat of Formation -910.2 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 321.4 Å 3
Surface Area 294.64 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(2-bromoethyl)-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-(2-bromoethyl)-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 5-(2-bromoethyl)-1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-(2-bromoethyl)-1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 5-(2-bromoethyl)-2'-deoxyuridine
  • beudr
  • uridine, 5-(2-bromoethyl)-2'-deoxy-
CAS Number(s)
  • 90301-64-7
  • 90301-65-8
InChIKey ARAPHVJYXVDNPN-YIZRAAEISA-N
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Elements H C O Br N