5-Fluoro-1-(β-D-Glucopyranosyl)-2,4(1H,3H)-Pyrimidinedione

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Formula C10H13FN2O7
IUPAC Name 5-fluoro-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidin-1-ium-5-ide-2,4-dione
Molecular Mass 292.218 g·mol−1
Heat of Formation -1383.2 ± 16.7 kJ·mol−1
Dipole Moment 4.79 ± 1.08 D
Volume 302.53 Å 3
Surface Area 266.19 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 5-fluoro-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]pyrimidine-2,4-dione
  • 5-fluoro-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione
  • 5-fluoro-1-[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]pyrimidine-2,4-quinone
InChIKey YHWGRVDTEORPPJ-XSEHCYKFSA-N
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