[5-[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]-1,1,5,5-Tetrafluoro-Pentyl]Phosphonic Acid

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Formula C15H22F4N5O12P3
IUPAC Name [5-[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-1,1,5,5-tetrafluoro-pentyl]phosphonic acid
Molecular Mass 633.276 g·mol−1
Heat of Formation -3692.1 ± 16.7 kJ·mol−1
Dipole Moment 2.96 ± 1.08 D
Volume 614.55 Å 3
Surface Area 491.55 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry C1
InChIKey NMYABPYBODCLHR-QYVSTXNMSA-O
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