8-[(1R)-1-Phenylpropyl]-1,3-Dipropyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C20H27N4O2
IUPAC Name 8-[(1r)-1-phenylpropyl]-1,3-dipropyl-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 355.454 g·mol−1
Heat of Formation -243.1 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 450.08 Å 3
Surface Area 378.66 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 2.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3,7-dihydro-8-(1-phenylpropyl)-1,3-dipropyl-1h-purine-2,6-dione
  • 8-[(1r)-1-phenylpropyl]-1,3-dipropyl-7h-purine-2,6-dione
  • 8-[(1r)-1-phenylpropyl]-1,3-dipropyl-7h-purine-2,6-quinone
  • mdl 102,234
  • mdl 102234
CAS Number(s)
  • 137766-81-5
InChIKey ZFUJDWYGRZXMJC-OAHLLOKOSA-N
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