3-Ethyl-1-(6-Hydroxy-6-Methyl-Heptyl)-7-Propyl-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C18H31N4O3
IUPAC Name 3-ethyl-1-(6-hydroxy-6-methyl-heptyl)-7-propyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 351.464 g·mol−1
Heat of Formation -625.0 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 453.48 Å 3
Surface Area 400.18 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
InChIKey VTQXVTKCAAFPCN-UHFFFAOYSA-P
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