1-Bromoguanosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H15BrN5O14P3
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-1-bromo-6-oxo-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 602.076 g·mol−1
Heat of Formation -3057.0 ± 16.7 kJ·mol−1
Dipole Moment 9.52 ± 1.08 D
Volume 519.41 Å 3
Surface Area 440.87 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -2.44 ± eV
Point Group Symmetry C1
Synonyms
  • 8-bromo-gtp
  • 8-bromoguanosine triphosphate
  • [(2r,3s,4r,5r)-5-(2-amino-1-bromo-6-keto-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-1-bromo-6-oxo-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-1-bromo-6-oxo-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-1-bromo-6-oxo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-1-bromo-6-oxopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • guanosine 5'-(tetrahydrogen triphosphate), 8-bromo-
CAS Number(s)
  • 23197-98-0
  • 26495-80-7
InChIKey LFZGZIRXCAZYFU-UUOKFMHZSA-N
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Elements C H O N P Br