2'-Bromo-2'-Deoxyadenosine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H13BrN5O6P
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-bromo-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 410.118 g·mol−1
Heat of Formation -1080.8 ± 16.7 kJ·mol−1
Dipole Moment 1.54 ± 1.08 D
Volume 369.83 Å 3
Surface Area 330.78 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, 2'-bromo-2'-deoxy-, homopolymer
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-4-bromo-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-bromo-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-bromo-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-bromo-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • poly(2'-bromo-2'-deoxyadenylic acid)
CAS Number(s)
  • 65456-05-5
InChIKey RIBXRFQXWKIHHC-QYYRPYCUSA-N
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Elements C H O N P Br