2',3',5'-Tri-O-Acetyl-8-Bromoadenosine

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Properties Simple | Detailed

Formula C16H18BrN5O7
IUPAC Name [(2r,3s,4r,5r)-3,4-diacetoxy-5-(6-amino-8-bromo-purin-9-ium-9-yl)tetrahydrofuran-2-yl]methyl acetate
Molecular Mass 472.247 g·mol−1
Heat of Formation -1025.1 ± 16.7 kJ·mol−1
Dipole Moment 1.43 ± 1.08 D
Volume 458.46 Å 3
Surface Area 381.3 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey HRCLVNMFELGYPE-JDTTZNEISA-N
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Elements H C O Br N