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

Molecule SVG Image

Properties Simple | Detailed

Formula C16H26N4O3
IUPAC Name 1-(5-hydroxy-5-methyl-hexyl)-3-methyl-7-propyl-purin-9-ium-5-ide-2,6-dione
Molecular Mass 322.403 g·mol−1
Heat of Formation -572.7 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 408.51 Å 3
Surface Area 364.53 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.55 ± eV
Point Group Symmetry C1
InChIKey GLJWFDVFAXFSMX-UHFFFAOYSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N