8-Bromoguanosine 3'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H13BrN5O8P
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-8-bromo-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 442.117 g·mol−1
Heat of Formation -1449.5 ± 16.7 kJ·mol−1
Dipole Moment 15.66 ± 1.08 D
Volume 392.05 Å 3
Surface Area 329.67 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-guanylic acid, 8-bromo-
  • 8-brg-3p
  • 8-bromo-3'-guanylic acid
  • 8-bromoguanosine 3'-phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-8-bromo-6-keto-3h-purin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-8-bromo-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-8-bromo-6-oxo-3h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
CAS Number(s)
  • 86808-63-1
InChIKey SUVSKXLGKWAYKC-UMMCILCDSA-N
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Elements C H O N P Br