2-Amino-8-Bromo-9-[(3Xi)-2-Deoxy-β-D-Glycero-Pentofuranosyl]-1,9-Dihydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H13BrN5O4
IUPAC Name 2-amino-8-bromo-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 347.145 g·mol−1
Heat of Formation -436.4 ± 16.7 kJ·mol−1
Dipole Moment 13.94 ± 1.08 D
Volume 314.36 Å 3
Surface Area 273.66 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
InChIKey MKDXZFVCXWXGBQ-VPENINKCSA-P
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Br N