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

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Properties Simple | Detailed

Formula C11H16N2O5
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxy-5-methyl-pyrimidin-1-ium-3-id-4-one
Molecular Mass 256.255 g·mol−1
Heat of Formation -776.8 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 292.92 Å 3
Surface Area 262.52 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-methoxy-5-methyl-4-pyrimidinone
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methoxy-5-methyl-pyrimidin-4-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methoxy-5-methylpyrimidin-4-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methoxy-5-methyl-pyrimidin-4-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-2-methoxy-5-methyl-pyrimidin-4-one
  • 2-mdot
  • 4(1h)-pyrimidinone, 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-2-methoxy-5-methyl-
  • o(2)-methyldeoxythymidine
CAS Number(s)
  • 37085-48-6
InChIKey OVADECQWSOWNFN-DJLDLDEBSA-N
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