5-(Bromoethynyl)-2'-Deoxyuridine

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Properties Simple | Detailed

Formula C11H11BrN2O5++
IUPAC Name 5-(2-bromoethynyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 331.119 g·mol−1
Heat of Formation -588.0 ± 16.7 kJ·mol−1
Dipole Moment 6.28 ± 1.08 D
Volume 307.86 Å 3
Surface Area 278.53 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-5-bromoethynyluridine
  • 5-(2-bromoethynyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-(2-bromoethynyl)-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-(2-bromoethynyl)-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 5-br-deoxyuridine
  • 5-bromoethynyl-2'-deoxyuridine
  • uridine, 5-(bromoethynyl)-2'-deoxy-
CAS Number(s)
  • 80384-36-7
InChIKey UKOANMHEMZJGHQ-DJLDLDEBSA-N
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