1-Butyl-3-(3-Hydroxypropyl)-8-[(13R,14S)-21-Tricyclo[Blah.Blah.Blah.Blah]Nonanyl]-7H-Purin-9-Ium-5-Ide-2,6-Dione

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Properties Simple | Detailed

Formula C21H30N4O3
IUPAC Name 1-butyl-3-(3-hydroxypropyl)-8-[(13r,14s)-21-tricyclo[blah.blah.blah.blah]nonanyl]-7h-purin-9-ium-5-ide-2,6-dione
Molecular Mass 386.488 g·mol−1
Heat of Formation -504.3 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 470.41 Å 3
Surface Area 404.93 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey GEMXQLDMUSPTOG-VNWOGIAQSA-P
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