3-[2-Amino-6-(Cyclohexylmethoxy)-3H-Purin-8-Yl]-2-Methylphenol

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Properties Simple | Detailed

Formula C19H23N5O2
IUPAC Name 3-[2-amino-6-(cyclohexylmethoxy)purin-7-ium-5-ylium-8-yl]-2-methyl-phenol
Molecular Mass 353.418 g·mol−1
Heat of Formation -89.4 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 416.04 Å 3
Surface Area 378.16 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.28 ± eV
Point Group Symmetry C1
InChIKey GTQOUNMUULYWFG-UHFFFAOYSA-N
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