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

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Properties Simple | Detailed

Formula C20H28N6O5P2
IUPAC Name [4-[[2-(4-aminocyclohexyl)-9-ethyl-purine-1,3,7-triium-6-yl]amino]benzene-2,6-diid-1-yl]-(phosphonatomethyl)phosphinate
Molecular Mass 494.421 g·mol−1
Heat of Formation -1062.5 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 553.9 Å 3
Surface Area 470.23 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • [[4-[[2-(4-aminocyclohexyl)-9-ethyl-6-purinyl]amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
  • [[4-[[2-(4-aminocyclohexyl)-9-ethyl-purin-6-yl]amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid
  • [[4-[[2-(4-aminocyclohexyl)-9-ethylpurin-6-yl]amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid
InChIKey FGMSUCIOAMNCKF-HDJSIYSDSA-N
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