[[(2R,3S,4S,5R)-5-[5-[(E)-2-(4-Azidophenyl)Vinyl]-2,4-Dioxo-Pyrimidin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Formula C17H20N5O15P3
IUPAC Name [[(2r,3s,4s,5r)-5-[5-[(e)-2-(4-azidophenyl)vinyl]-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 627.287 g·mol−1
Heat of Formation -3184.6 ± 16.7 kJ·mol−1
Dipole Moment 6.68 ± 1.08 D
Volume 621.9 Å 3
Surface Area 464.69 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -2.15 ± eV
Point Group Symmetry C1
InChIKey GDTBPFDUUIOYNH-ORCGDBKPSA-P
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