3-[2-(2-Cyclopentyl-6-{[4-(Dimethylphosphoryl)Phenyl]Amino}-9H-Purin-9-Yl)Ethyl]Phenol

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Properties Simple | Detailed

Formula C26H30N5O2P
IUPAC Name 3-[2-[2-cyclopentyl-6-(4-dimethylphosphorylanilino)-8h-purin-9-ium-8-ylium-9-yl]ethyl]phenol
Molecular Mass 475.522 g·mol−1
Heat of Formation -110.6 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 572.47 Å 3
Surface Area 486.9 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 2.29 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[2-[2-cyclopentyl-6-[(4-dimethylphosphorylphenyl)amino]-9-purinyl]ethyl]phenol
InChIKey VVOYROSONSLQQK-UHFFFAOYSA-N
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