[3-(6-Amino-9H-Purin-9-Yl)-1,2-Cyclobutanediyl]Dimethanol

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Properties Simple | Detailed

Formula C11H15N5O2
IUPAC Name [(1r,2s,3s)-3-(6-aminopurin-9-ium-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
Molecular Mass 249.269 g·mol−1
Heat of Formation -90.3 ± 16.7 kJ·mol−1
Dipole Moment 1.39 ± 1.08 D
Volume 287.55 Å 3
Surface Area 263.25 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
InChIKey PYJIWOQTJHPDAK-FXQIFTODSA-N
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