[(1R,3S,4R,6R,7S)-6-(2,4-Dioxo-5H-Pyrimidin-1-Ium-5-Id-1-Yl)-7-Hydroxy-3-Methyl-2,5-Dioxabicyclo[2.2.1]Heptan-4-Yl]Methyl Dihydrogen Phosphate

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Formula C11H15N2O9P++
IUPAC Name [(1r,3s,4r,6r,7s)-6-(2,4-dioxo-5h-pyrimidin-1-ium-5-id-1-yl)-7-hydroxy-3-methyl-2,5-dioxabicyclo[2.2.1]heptan-4-yl]methyl dihydrogen phosphate
Molecular Mass 350.219 g·mol−1
Heat of Formation -1801.1 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 356.28 Å 3
Surface Area 305.56 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
InChIKey YMFXFISZLBZENQ-VYQOJPKJSA-P
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