[6-(6-Amino-8-Bromo-9H-Purin-9-Yl)-3-Hexyl-2-Morpholinyl]Methanol

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Properties Simple | Detailed

Formula C16H25BrN6O2
IUPAC Name [(2s,3s,6s)-6-(6-amino-8-bromo-purin-9-yl)-3-hexyl-morpholin-2-yl]methanol
Molecular Mass 413.313 g·mol−1
Heat of Formation -176.6 ± 16.7 kJ·mol−1
Dipole Moment 2.65 ± 1.08 D
Volume 440.35 Å 3
Surface Area 384.77 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey JRSFWUOPMBCXTG-TUAOUCFPSA-N
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Elements H C O Br N