[(2R,3S,4R,5R)-5-(2-Aminopurin-9-Yl)-4-Hydroxy-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] [(2R,3S,5R)-5-(5-Bromo-2,4-Dioxo-Pyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C19H17BrN7O14P2
IUPAC Name [(2r,3s,4r,5r)-5-(2-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] [(2r,3s,5r)-5-(5-bromo-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
Molecular Mass 709.228 g·mol−1
Heat of Formation -2724.3 ± 16.7 kJ·mol−1
Dipole Moment 0.83 ± 1.08 D
Volume 671.84 Å 3
Surface Area 566.41 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-adenylic acid, 5-bromo-2'-deoxyuridylyl-(5'-3')-2'-deoxy-, homopolymer
  • [(2r,3s,4r,5r)-5-(2-amino-9-purinyl)-4-hydroxy-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] [(2r,3s,5r)-5-(5-bromo-2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] [(2r,3s,5r)-5-(5-bromo-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(5-bromo-2,4-diketo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • poly (da-brdu)
  • poly(da-dbru)
CAS Number(s)
  • 51853-70-4
InChIKey KWYPIKSUEWBRHY-MWZTYSBBSA-N
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Elements C H O N P Br