1,1'-(1,3-Propanediyl)Bis(3,7-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione)

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Properties Simple | Detailed

Formula C17H28N8O4
IUPAC Name 1-[3-(3,7-dimethyl-2,6-dioxo-8h-purine-4,5,8,9-tetraid-1-yl)propyl]-3,7-dimethyl-8h-purine-4,5,8,9-tetraide-2,6-dione
Molecular Mass 408.455 g·mol−1
Heat of Formation -388.1 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 445.11 Å 3
Surface Area 390.74 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-[3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl]-3,7-dimethyl-xanthine
  • 1-[3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl]-3,7-dimethylpurine-2,6-dione
  • 1-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl]-3,7-dimethyl-purine-2,6-dione
  • tulip029023
InChIKey KEPIKAFUZRKZMT-UHFFFAOYSA-N
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