3-Ethylthymidine

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Properties Simple | Detailed

Formula C12H18N2O5
IUPAC Name 3-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 270.282 g·mol−1
Heat of Formation -931.7 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 313.4 Å 3
Surface Area 277.7 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.72 ± eV
Point Group Symmetry C1
Synonyms
  • 3-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 3-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 3-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 3-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 3-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • n(3)-ethylthymidine
  • n3-et-dt
  • n3-ethyldeoxythymidine
  • n3-ethylthymidine
  • thymidine, 3-ethyl-
CAS Number(s)
  • 21473-40-5
InChIKey KZLQMOZKJBGROV-IVZWLZJFSA-N
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