1-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-4-Ethoxy-5-Methyl-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C12H18N2O5
IUPAC Name 4-ethoxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
Molecular Mass 270.282 g·mol−1
Heat of Formation -865.7 ± 16.7 kJ·mol−1
Dipole Moment 4.47 ± 1.08 D
Volume 312.39 Å 3
Surface Area 281.49 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrimidinone, 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-4-ethoxy-5-methyl-
  • 4-ethoxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-2-pyrimidinone
  • 4-ethoxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidin-2-one
  • 4-ethoxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
  • 4-ethoxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
  • 4-ethoxy-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
  • 4-o-ethylthymidine
  • o(4)-ethyl-2'-deoxythymidine
  • o(4)-ethyldeoxythymidine
  • o(4)-ethylthymidine
  • thymidine, 4-o-ethyl-
CAS Number(s)
  • 59495-22-6
InChIKey QZVVYDMWOGPALV-IVZWLZJFSA-N
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