8-Bromoadenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C10H12BrN5O4
IUPAC Name (2r,3r,4s,5r)-2-(6-amino-8-bromo-purin-9-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 346.137 g·mol−1
Heat of Formation -433.7 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 315.02 Å 3
Surface Area 273.78 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-8-bromo-9-purinyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-8-bromo-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-8-bromo-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-8-bromo-purin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol
  • 6-amino-8-bromopurine riboside
  • 8-bromo-adenosine
  • 8-bromoadenine-9-beta-d-ribofuranoside
  • adenosine, 8-bromo
  • adenosine, 8-bromo- (8ci)(9ci)
CAS Number(s)
  • 2946-39-6
InChIKey VJUPMOPLUQHMLE-UUOKFMHZSA-N
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Elements H C O Br N