(1S)-1,5-Anhydro-1-([(2S,3S,4R,5R)-5-(5-Fluoro-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Methyl)-D-Glucitol

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Formula C15H23FN2O17P2
IUPAC Name [(s)-[(2s,3s,4r,5r)-5-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]methyl] phosphono hydrogen phosphate
Molecular Mass 584.292 g·mol−1
Heat of Formation -3848.3 ± 16.7 kJ·mol−1
Dipole Moment 6.26 ± 1.08 D
Volume 556.02 Å 3
Surface Area 418.16 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry C1
InChIKey UPRBTCOBJAWDAG-KHUSBBKHSA-N
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Elements C F H O N P