1-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-4-Thioxo-3,4-Dihydro-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C9H12N2O4S++
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
Molecular Mass 244.268 g·mol−1
Heat of Formation -599.9 ± 16.7 kJ·mol−1
Dipole Moment 6.05 ± 1.08 D
Volume 264.32 Å 3
Surface Area 240.75 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.12 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-4-thioxo-2-pyrimidinone
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidene-pyrimidin-2-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
  • 1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-4-thioxo-pyrimidin-2-one
InChIKey PHNDUXLWAVSUAL-SHYZEUOFSA-N
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