(2S,3S,4S,5R,6R)-6-(5-Fluoro-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12FN3O7
IUPAC Name (2s,3s,4s,5r,6r)-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4,5-trihydroxy-tetrahydropyran-2-carboxamide
Molecular Mass 305.217 g·mol−1
Heat of Formation -1357.1 ± 16.7 kJ·mol−1
Dipole Moment 7.29 ± 1.08 D
Volume 311.23 Å 3
Surface Area 275.23 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4s,5r,6r)-6-(5-fluoro-2,4-diketo-pyrimidin-1-yl)-3,4,5-trihydroxy-tetrahydropyran-2-carboxamide
  • (2s,3s,4s,5r,6r)-6-(5-fluoro-2,4-dioxo-1-pyrimidinyl)-3,4,5-trihydroxy-2-tetrahydropyrancarboxamide
  • (2s,3s,4s,5r,6r)-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4,5-trihydroxy-oxane-2-carboxamide
  • (2s,3s,4s,5r,6r)-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4,5-trihydroxy-tetrahydropyran-2-carboxamide
  • (2s,3s,4s,5r,6r)-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4,5-trihydroxyoxane-2-carboxamide
  • beta-d-glucopyranuronamide, 1-deoxy-1-(5-fluoro-3,4-dihydro-2,4-dioxo-1(2h)-pyrimidinyl)-
  • mg 6812
CAS Number(s)
  • 74240-89-4
InChIKey PERCEIMMBVMDHG-HYMLEYLXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O F