[[[[(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]-Difluoro-Methyl]Phosphonic Acid

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Properties Simple | Detailed

Formula C11H16F2N5O12P3
IUPAC Name [[[[(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]-difluoro-methyl]phosphonic acid
Molecular Mass 541.189 g·mol−1
Heat of Formation -3231.8 ± 16.7 kJ·mol−1
Dipole Moment 11.12 ± 1.08 D
Volume 500.81 Å 3
Surface Area 394.37 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
InChIKey NYDCZSOAHGZIHE-KVQBGUIXSA-P
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