5-Chloro-1-(2-Deoxy-β-D-Threo-Pentofuranosyl)-2,4(1H,3H)-Pyrimidinedione

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Formula C9H11ClN2O5
IUPAC Name 5-chloro-1-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 262.647 g·mol−1
Heat of Formation -890.7 ± 16.7 kJ·mol−1
Dipole Moment 6.38 ± 1.08 D
Volume 269.8 Å 3
Surface Area 242.11 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-1-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione
  • 5-chloro-1-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
  • 5-chloro-1-[(2r,4r,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone
InChIKey NJCXGFKPQSFZIB-FSDSQADBSA-N
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Elements H C N O Cl