2'-Bromo-2'-Deoxyuridine

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Properties Simple | Detailed

Formula C9H11BrN2O5++
IUPAC Name 1-[(2r,3r,4r,5r)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 307.098 g·mol−1
Heat of Formation -823.5 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 274.99 Å 3
Surface Area 244.7 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,3r,4r,5r)-3-bromo-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 1-[(2r,3r,4r,5r)-3-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 1-[(2r,3r,4r,5r)-3-bromo-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 1-[(2r,3r,4r,5r)-3-bromo-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
CAS Number(s)
  • 72218-68-9
InChIKey FEUDNSHXOOLCEY-XVFCMESISA-N
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Elements H C O Br N