[Dibromo-[[[(2R,3S,4R,5R)-5-[6-(Diethylamino)Purine-1,3,7-Triium-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Methyl]Phosphonic Acid

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Formula C15H24Br2N5O12P3
IUPAC Name [dibromo-[[[(2r,3s,4r,5r)-5-[6-(diethylamino)purine-1,3,7-triium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid
Molecular Mass 719.107 g·mol−1
Heat of Formation -2697.6 ± 16.7 kJ·mol−1
Dipole Moment 4.93 ± 1.08 D
Volume 624.01 Å 3
Surface Area 494.17 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 1.41 ± eV
Point Group Symmetry C1
InChIKey GFCHIOJMYYHQEV-IDTAVKCVSA-O
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Elements C H O N P Br