[[(2R,3S,5R)-5-[4-Amino-5-[2-(4-Ethynylphenyl)Ethynyl]-2-Oxo-Pyrimidin-3-Ium-1-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C19H20N3O13P3
IUPAC Name [[(2r,3s,5r)-5-[4-amino-5-[2-(4-ethynylphenyl)ethynyl]-2-oxo-pyrimidin-3-ium-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 591.296 g·mol−1
Heat of Formation -2665.5 ± 16.7 kJ·mol−1
Dipole Moment 8.35 ± 1.08 D
Volume 592.25 Å 3
Surface Area 506.52 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.62 ± eV
Point Group Symmetry C1
InChIKey VDXDSNPEUQJLJX-GVDBMIGSSA-O
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