[(1R)-1-[[[(2R,3S,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]-1-Fluoro-Ethyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C12H19FN5O12P3
IUPAC Name [(1r)-1-[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-1-fluoro-ethyl]phosphonic acid
Molecular Mass 537.225 g·mol−1
Heat of Formation -2939.4 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 522.16 Å 3
Surface Area 434.4 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
InChIKey LJLRQCNWZGDRES-WGVJZOHMSA-P
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