8-[(1S,2S,4R,5S,6S)-3-Oxatricyclo[3.2.1.0~2,4~]Oct-6-Yl]-1,3-Dipropyl-3,7-Dihydro-1H-Purine-2,6-Dione

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Properties Simple | Detailed

Formula C18H24N4O3
IUPAC Name 8-(3-oxatricyclo[3.2.1.0 2,4 ]oct-6-yl)-1,3-dipropyl-3,7-dihydro-1h-purine-2,6-dione
Molecular Mass 344.408 g·mol−1
Heat of Formation -282.9 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 409.85 Å 3
Surface Area 355.35 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-2,6-dione, 3,7-dihydro-8-(3-oxatricyclo(3.2.1.02,4)oct-6-yl)-1,3-dipropyl-,(1s(1alpha,2beta,4beta,5alpha,6alpha))-
  • 8-((2s,5,6-exo)-5,6-epoxy-2-norbonyl)-1,3-dipropylxanthine
  • bg9719
  • cvt-124
  • naxifylline
CAS Number(s)
  • 166374-49-8
InChIKey OQCJPFYWFGUHIN-VSEIDBEKSA-N
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