4-(Benzoylamino)-1-(3-Deoxy-3-Fluoro-β-D-Glucopyranosyl)-2(1H)-Pyrimidinone

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Formula C17H18FN3O6+
IUPAC Name n-[1-[(2r,3s,4s,5r,6r)-4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-2-oxo-pyrimidin-4-yl]benzamide
Molecular Mass 379.340 g·mol−1
Heat of Formation -1001.4 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 412.93 Å 3
Surface Area 365.25 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
InChIKey PUCZITRLESUWFB-PBEGBBSFSA-N
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