[(2R,3S,4R,5R)-5-[2-[(2S,3S,4S,5R,6R)-3-Fluoro-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]-4-Oxo-Pyrimidin-3-Ium-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Formula C15H24FN2O16P2+
IUPAC Name [(2r,3s,4r,5r)-5-[2-[(2s,3s,4s,5r,6r)-3-fluoro-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-oxo-1h-pyrimidin-3-ium-3-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 569.301 g·mol−1
Heat of Formation -3608.9 ± 16.7 kJ·mol−1
Dipole Moment 8.45 ± 1.08 D
Volume 557.86 Å 3
Surface Area 442.98 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
InChIKey AARFFURLFPEOSN-SMKJBMSLSA-O
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