[(2R,3S,4R,5R)-5-(6-Amino-2-Fluoro-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Formula C10H14FN5O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-2-fluoro-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 445.192 g·mol−1
Heat of Formation -2332.7 ± 16.7 kJ·mol−1
Dipole Moment 4.88 ± 1.08 D
Volume 428.27 Å 3
Surface Area 364.97 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 1.60 ± eV
Point Group Symmetry C1
InChIKey JNAGFEQGKIDIHA-UUOKFMHZSA-O
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