(2R,3R,4S,5R)-2-(6-Amino-8-Bromo-Purin-9-Ium-8-Ylium-3,6-Diid-9-Yl)-5-(Azidomethyl)Tetrahydrofuran-3,4-Diol

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Properties Simple | Detailed

Formula C10H14BrN8O3
IUPAC Name (2r,3r,4s,5r)-2-(6-amino-8-bromo-purin-9-ium-8-ylium-3,6-diid-9-yl)-5-(azidomethyl)tetrahydrofuran-3,4-diol
Molecular Mass 374.174 g·mol−1
Heat of Formation 77.3 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 342.63 Å 3
Surface Area 301.56 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey YEAKDHBENBXAFB-UUOKFMHZSA-O
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Elements H C O Br N