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

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Formula C14H22N2O5
IUPAC Name 2-butoxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-1-ium-5-id-4-one
Molecular Mass 298.335 g·mol−1
Heat of Formation -866.0 ± 16.7 kJ·mol−1
Dipole Moment 6.30 ± 1.08 D
Volume 358.47 Å 3
Surface Area 321.0 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-butoxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-4-pyrimidinone
  • 2-butoxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidin-4-one
  • 2-butoxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-4-one
  • 2-butoxy-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-4-one
  • 2-butoxy-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidin-4-one
  • 4(1h)-pyrimidinone, 2-butoxy-1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methyl-
  • o(2)-btm
  • o(2)-butylthymidine
CAS Number(s)
  • 82543-40-6
InChIKey NYURDMKCPKXUDB-QJPTWQEYSA-N
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