8-Bromoadenosine 2'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H13BrN5O7P
IUPAC Name [(2r,3r,4r,5r)-2-(6-amino-8-bromo-purine-1,3,7-triium-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 426.117 g·mol−1
Heat of Formation -1291.7 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 379.17 Å 3
Surface Area 317.75 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-adenylic acid, 8-bromo-
  • 8-bromo-2'-amp
  • [(2r,3r,4r,5r)-2-(6-amino-8-bromo-9-purinyl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3r,4r,5r)-2-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3r,4r,5r)-2-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3r,4r,5r)-2-(6-amino-8-bromo-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3r,4r,5r)-2-(6-amino-8-bromopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
CAS Number(s)
  • 23583-49-5
InChIKey XGLRXXJRGLGBEM-UUOKFMHZSA-N
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Elements C H O N P Br