3-({2-[(4-{[6-(Cyclohexylmethoxy)-7H-Purin-2-Yl]Amino}Phenyl)Sulfonyl]Ethyl}Amino)-1-Propanol

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Formula C23H32N6O4S
IUPAC Name 3-[2-[4-[[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino]phenyl]sulfonylethylamino]propan-1-ol
Molecular Mass 488.603 g·mol−1
Heat of Formation -406.9 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 581.26 Å 3
Surface Area 471.79 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 2.06 ± eV
Point Group Symmetry C1
Synonyms
  • 3-({2-[(4-{[6-(cyclohexylmethoxy)-9h-purin-2-yl]amino}phenyl)sulfonyl]ethyl}amino)propan-1-ol
  • 3-[2-[4-[[6-(cyclohexylmethoxy)-7h-purin-2-yl]amino]phenyl]sulfonylethylamino]propan-1-ol
  • nu5
InChIKey AMFGILNPFBVREA-UHFFFAOYSA-N
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