8-Bromoguanosine 2'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C10H13BrN5O8P
IUPAC Name [(2r,3r,4r,5r)-2-(2-amino-8-bromo-6-oxo-3h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 442.117 g·mol−1
Heat of Formation -1435.1 ± 16.7 kJ·mol−1
Dipole Moment 9.24 ± 1.08 D
Volume 390.68 Å 3
Surface Area 324.06 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-guanylic acid, 8-bromo-
  • 8-brg-2p
  • 8-bromo-2'-guanylic acid
  • 8-bromoguanosine 2'-phosphate
  • [(2r,3r,4r,5r)-2-(2-amino-8-bromo-6-keto-3h-purin-9-yl)-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] dihydrogen phosphate
  • [(2r,3r,4r,5r)-2-(2-amino-8-bromo-6-oxo-3h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranyl] dihydrogen phosphate
  • [(2r,3r,4r,5r)-2-(2-amino-8-bromo-6-oxo-3h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
  • [(2r,3r,4r,5r)-2-(2-amino-8-bromo-6-oxo-3h-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
CAS Number(s)
  • 86808-62-0
InChIKey HTMYMRFPORKXTR-UMMCILCDSA-N
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Elements C H O N P Br