8-Bromo-9-(2-Deoxy-α-D-Threo-Pentofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H12BrN5O3
IUPAC Name (2r,3r,5s)-5-(6-amino-8-bromo-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol
Molecular Mass 330.138 g·mol−1
Heat of Formation -280.9 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 304.36 Å 3
Surface Area 274.16 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey NJBIVXMQFIQOGE-PBXRRBTRSA-N
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Elements H C O Br N