[[[[(2R,5S)-5-(4-Amino-5-Fluoro-2-Oxo-Pyrimidin-3-Ium-1-Yl)-1,3-Oxathiolan-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Amino]Phosphonic Acid

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Properties Simple | Detailed

Formula C8H15FN4O11P3S+
IUPAC Name [[[[(2r,5s)-5-(6-amino-5-fluoro-2-oxo-1h-pyrimidin-3-ium-3-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
Molecular Mass 487.210 g·mol−1
Heat of Formation -2865.6 ± 16.7 kJ·mol−1
Dipole Moment 6.55 ± 1.08 D
Volume 448.69 Å 3
Surface Area 379.54 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey MWCHANVWFOSOTB-NTSWFWBYSA-O
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