[(2S,5R)-5-[4-Amino-5-[2-(4-Ethynylphenyl)Ethynyl]-2-Oxo-Pyrimidin-1-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Formula C19H18N3O6P
IUPAC Name [(2s,5r)-5-[4-amino-5-[2-(4-ethynylphenyl)ethynyl]-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 415.337 g·mol−1
Heat of Formation -761.4 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 461.49 Å 3
Surface Area 397.82 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey IXTAGUCYLSQFGM-DLBZAZTESA-N
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