Lisofylline

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Properties Simple | Detailed

Formula C13H20N4O3
IUPAC Name 1-[(5r)-5-hydroxyhexyl]-3,7-dimethyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 280.323 g·mol−1
Heat of Formation -491.2 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 340.25 Å 3
Surface Area 313.34 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(5r)-5-hydroxyhexyl]-3,7-dimethyl-purine-2,6-dione
  • 1-[(5r)-5-hydroxyhexyl]-3,7-dimethyl-xanthine
  • 1h-purine-2,6-dione, 3,7-dihydro-1-[(5r)-5-hydroxyhexyl]-3,7-dimethyl-
  • ct1501r
  • d04748
  • lisofylline (usan)
  • lsf
  • r-1-(5-hydroxyhexyl)-3,7-dimethylxanthine
InChIKey NSMXQKNUPPXBRG-SECBINFHSA-N
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