8-Bromoadenosine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C10H14BrN5O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 506.097 g·mol−1
Heat of Formation -2158.6 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 446.21 Å 3
Surface Area 356.69 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 8-bromo-adp
  • 8-bromoadenosine 5'-diphosphate
  • 8-bromoadenosine-5'-diphosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-bromo-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-amino-8-bromo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • abp
  • adenosine 5'-(trihydrogen diphosphate), 8-bromo-
  • br8adp
CAS Number(s)
  • 23600-16-0
InChIKey KVVVTFSHHQCHNZ-UUOKFMHZSA-N
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Elements C H O N P Br