3'-C-Ethynyluridine

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Properties Simple | Detailed

Formula C11H12N2O6
IUPAC Name 1-[(2r,3r,4s,5r)-4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 268.223 g·mol−1
Heat of Formation -788.1 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 233.72 Å 3
Surface Area 206.26 Å 2
HOMO Energy -9.91 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3'-c-ethynyl-beta-d-ribofuranosyl)uracil
  • 1-[(2r,3r,4s,5r)-4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-4-ethynyl-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
  • 2,4(1h,3h)-pyrimidinedione, 1-(3-c-ethynyl-.beta.-d-ribofuranosyl)-
  • eurd
  • pj 272
  • pj-272
  • uridine, 3'-c-ethynyl
CAS Number(s)
  • 180300-49-6
InChIKey KNGMLOFYXFWJLZ-DYUFWOLASA-N
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