{[(4-{[2-(4-Aminocyclohexyl)-9-Ethyl-9H-Purin-6-Yl]Amino}Phenyl)(Hydroxy)Phosphoryl]Methyl}Phosphonic Acid

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Formula C20H28N6O5P2
IUPAC Name [[4-[[2-(4-aminocyclohexyl)-9-ethyl-purine-1,3,7-triium-6-yl]amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid
Molecular Mass 494.421 g·mol−1
Heat of Formation -1058.0 ± 16.7 kJ·mol−1
Dipole Moment 8.71 ± 1.08 D
Volume 563.06 Å 3
Surface Area 462.16 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey FGMSUCIOAMNCKF-OKILXGFUSA-N
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