1,1'-Ethane-1,2-Diylbis(3,7-Dimethyl-3,7-Dihydro-1H-Purine-2,6-Dione)

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Properties Simple | Detailed

Formula C16H18N8O4
IUPAC Name 1-[2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl]-3,7-dimethyl-purine-2,6-dione
Molecular Mass 386.365 g·mol−1
Heat of Formation 1318.5 ± 16.7 kJ·mol−1
Dipole Moment 6.57 ± 1.08 D
Volume 447.75 Å 3
Surface Area 373.62 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-(theobromine-1-yl)ethyl)-bromine
  • 1-[2-(2,6-diketo-3,7-dimethyl-purin-1-yl)ethyl]-3,7-dimethyl-xanthine
  • 1-[2-(3,7-dimethyl-2,6-dioxo-1-purinyl)ethyl]-3,7-dimethylpurine-2,6-dione
  • 1-[2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)ethyl]-3,7-dimethyl-purine-2,6-dione
  • d1h
  • oprea1_512185
  • stock1n-01985
InChIKey DHOOHIKQTUGDOW-UHFFFAOYSA-N
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