[(2R,3S,5R)-3-{[{[(2R,3S,5R)-5-(4-Amino-5-Bromo-2-Oxo-1(2H)-Pyrimidinyl)-3-Hydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}-5-(6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Tetrahydro-2-Furanyl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C19H24BrN7O13P2
IUPAC Name [(2r,3s,5r)-5-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 700.284 g·mol−1
Heat of Formation -2569.7 ± 16.7 kJ·mol−1
Dipole Moment 10.46 ± 1.08 D
Volume 658.05 Å 3
Surface Area 456.73 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-inosinic acid, 5-bromo-2'-deoxycytidylyl-(5'-3')-2'-deoxy-, homopolymer
  • [(2r,3s,5r)-5-(4-amino-5-bromo-2-keto-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(6-keto-3h-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-bromo-2-oxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl [(2r,3s,5r)-5-(6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl [(2r,3s,5r)-5-(6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-bromo-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,5r)-5-(6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • [(2r,3s,5r)-5-(4-amino-5-bromo-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [(2r,3s,5r)-5-(6-oxo-3h-purin-9-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
  • poly (di-dbr(5)c)
  • poly d(i-br(5)c)
  • poly(di-bromo(5)dc)
  • polydeoxyinosinic-polydeoxy-(5-bromocytidylic)acid
CAS Number(s)
  • 126065-66-5
  • 51853-68-0
InChIKey FYDXIDYNALLFMX-PRSXHHODSA-N
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Elements C H O N P Br