[(2S,3R,4R,5R,6R)-5-Acetamido-3-Fluoro-4-Hydroxy-6-[(1R,2R)-1,2,3-Trihydroxypropyl]Tetrahydropyran-2-Yl] [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C19H30FN4O14P
IUPAC Name [(2s,3r,4r,5r,6r)-5-acetamido-3-fluoro-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]tetrahydropyran-2-yl] [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 588.432 g·mol−1
Heat of Formation -3026.0 ± 16.7 kJ·mol−1
Dipole Moment 8.17 ± 1.08 D
Volume 612.33 Å 3
Surface Area 503.71 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey DLSXHRIQCIXYOE-DOSPZCANSA-O
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