1-(2-Deoxy-α-D-Erythro-Pentofuranosyl)-5-(Methylsulfanyl)-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H14N2O4S
IUPAC Name 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylsulfanyl-pyrimidin-2-one
Molecular Mass 258.294 g·mol−1
Heat of Formation -619.2 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 289.57 Å 3
Surface Area 263.47 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-deoxy-beta-d-ribofuranosyl)-5-(methylmercapto)-2-pyrimidinone
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-(methylthio)-2-pyrimidinone
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanyl-pyrimidin-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylsulfanylpyrimidin-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylsulfanyl-pyrimidin-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-(methylthio)pyrimidin-2-one
  • 2(1h)-pyrimidinone, 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-(methylthio)-
  • drmmp
CAS Number(s)
  • 75670-13-2
InChIKey KEIQSLRUOBLVRD-YIZRAAEISA-N
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