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

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Properties Simple | Detailed

Formula C8H14FN4O11P3S
IUPAC Name [[[[(2r,5s)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
Molecular Mass 486.202 g·mol−1
Heat of Formation -1351.9 ± 16.7 kJ·mol−1
Dipole Moment 19.04 ± 1.08 D
Volume 380.95 Å 3
Surface Area 334.72 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
InChIKey LBSQECIRXSOKHJ-NTSWFWBYSA-N
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