7-(Ethoxymethyl)-1-(5-Hydroxy-5-Methyl-Hexyl)-3-Methyl-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C16H27N4O4
IUPAC Name 7-(ethoxymethyl)-1-(5-hydroxy-5-methyl-hexyl)-3-methyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 339.410 g·mol−1
Heat of Formation -725.5 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 420.03 Å 3
Surface Area 361.99 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
InChIKey XIHBUCPNURMZDC-UHFFFAOYSA-P
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