[(2S,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-4-Oxotetrahydro-2-Furanyl]Methyl Benzoate

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Properties Simple | Detailed

Formula C16H14N2O6
IUPAC Name [(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-oxo-tetrahydrofuran-2-yl]methyl benzoate
Molecular Mass 330.292 g·mol−1
Heat of Formation -855.4 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 359.1 Å 3
Surface Area 296.84 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5'-o-benzoyl-3'-deoxy-beta-d-glycero-pentafuran-2'-ulosyl)uracil
  • 1-(5'-o-benzoyl-3'-deoxypentofuran-2'-ulosyl)uracil
  • 1-bdgpu
  • 2,4(1h,3h)-pyrimidinedione, 1-(5-((benzoyloxy)methyl)tetrahydro-3-oxo-2-furanyl)-, (2r-cis)-
  • [(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-oxo-oxolan-2-yl]methyl benzoate
  • [(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-oxo-tetrahydrofuran-2-yl]methyl benzoate
  • [(2s,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-oxooxolan-2-yl]methyl benzoate
  • benzoic acid [(2s,5r)-5-(2,4-diketopyrimidin-1-yl)-4-keto-tetrahydrofuran-2-yl]methyl ester
  • benzoic acid [(2s,5r)-5-(2,4-dioxo-1-pyrimidinyl)-4-oxo-2-tetrahydrofuranyl]methyl ester
CAS Number(s)
  • 38359-55-6
InChIKey MQELLKXJZDZGMV-SMDDNHRTSA-N
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