8-Bromo-9-(2,3,5-Tri-O-Acetyl-β-D-Lyxofuranosyl)-9H-Purin-6-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C16H18BrN5O7
IUPAC Name [(2r,3s,4s,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 -992.1 ± 16.7 kJ·mol−1
Dipole Moment 0.77 ± 1.08 D
Volume 458.87 Å 3
Surface Area 360.3 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey HRCLVNMFELGYPE-CKRXIKOQSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N