1-(2-Deoxy-β-D-Erythro-Pentofuranosyl)-5-Ethynyl-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C11H12N2O4
IUPAC Name 5-ethynyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 236.224 g·mol−1
Heat of Formation -376.2 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 270.73 Å 3
Surface Area 243.66 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 5-ethynyl-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1h-pyrimidin-2-one
  • 5-ethynyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-pyrimidinone
  • 5-ethynyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one
  • 5-ethynyl-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidin-2-one
InChIKey VXALRNVDFHPLAC-IVZWLZJFSA-N
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