2'-Deoxy-5-Ethynyluridine

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Properties Simple | Detailed

Formula C11H12N2O5++
IUPAC Name 5-ethynyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 252.223 g·mol−1
Heat of Formation -625.7 ± 16.7 kJ·mol−1
Dipole Moment 3.60 ± 1.08 D
Volume 222.45 Å 3
Surface Area 203.36 Å 2
HOMO Energy -9.47 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 5-ethynyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-ethynyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
  • 5-ethynyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-ethynyl-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 5-ethynyl-2'-deoxyuridine
  • 5-ethynyl-durd
CAS Number(s)
  • 61135-33-9
InChIKey CDEURGJCGCHYFH-DJLDLDEBSA-N
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