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

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Properties Simple | Detailed

Formula C10H14N2O4+
IUPAC Name 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
Molecular Mass 226.229 g·mol−1
Heat of Formation -640.9 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 261.37 Å 3
Surface Area 242.7 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-2-pyrimidinone
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-pyrimidin-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
  • 1-[(2s,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidin-2-one
  • 2(1h)-pyrimidinone, 1-(2-deoxy-beta-d-erythro-pentofuranosyl)-5-methyl-
  • 5-methyl-2-pyrimidinone-1-(2'deoxyriboside)
  • 5-mpdr
CAS Number(s)
  • 22003-31-2
InChIKey ZNHHCVLXECPBLK-YIZRAAEISA-N
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