[[4-[[2-(4-Aminocyclohexyl)-9-Ethyl-Purine-1,3,7-Triium-6-Yl]Amino]Phenyl]-Hydroxy-Phosphoryl]Methylphosphonic 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 -1088.7 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 554.7 Å 3
Surface Area 425.98 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey YXKLWPGFLXDGAE-OKILXGFUSA-O
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