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

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Formula C17H22N6O15P3S
IUPAC Name [[(2r,3s,4r,5r)-5-[4-amino-5-[2-(4-azidophenyl)-2-oxo-ethyl]sulfanyl-2-oxo-pyrimidin-3-ium-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 675.374 g·mol−1
Heat of Formation -3111.3 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 670.87 Å 3
Surface Area 533.28 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
InChIKey JSZHPPUMLGPCFY-XKVFNRALSA-O
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