4-(2,6-Dioxo-1,3-Dipropyl-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Benzenesulfonic Acid

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Properties Simple | Detailed

Formula C17H20N4O5S
IUPAC Name 4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)benzenesulfonic acid
Molecular Mass 392.430 g·mol−1
Heat of Formation -712.2 ± 16.7 kJ·mol−1
Dipole Moment 0.88 ± 1.08 D
Volume 437.41 Å 3
Surface Area 390.08 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3-dipropyl-8-(4-sulfophenyl)xanthine
  • 1,3-dipropyl-8-(p-sulfophenyl)xanthine
  • 1,3-dipropyl-8-p-sulfophenylxanthine
  • 1,3-dipropyl-8-sulfophenylxanthine
  • 1,3-dspx
  • 4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1h-purin-8-yl)benzenesulfonic acid
  • 4-(2,6-diketo-1,3-dipropyl-7h-purin-8-yl)benzenesulfonic acid
  • 4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)benzenesulfonic acid
  • benzenesulfonic acid, 4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1h-purin-8-yl)-
  • dpspx
  • pspx
CAS Number(s)
  • 89073-57-4
InChIKey IWALGNIFYOBRKC-UHFFFAOYSA-N
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