5'-O-[{[{4-[(Bromoacetyl)Amino]Phenoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Uridine

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Properties Simple | Detailed

Formula C17H20BrN3O13P2
IUPAC Name [[4-[(2-bromoacetyl)amino]phenoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 616.205 g·mol−1
Heat of Formation -2803.1 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 584.64 Å 3
Surface Area 438.09 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy -1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(bromoacetamido)phenyluridyl pyrophosphate
  • [[4-(2-bromoethanoylamino)phenoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [[4-[(2-bromo-1-oxoethyl)amino]phenoxy]-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [[4-[(2-bromoacetyl)amino]phenoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [[4-[(2-bromoacetyl)amino]phenoxy]-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • p-(bromoacetamido)phenyluridyl pyrophosphate
  • uridine 5'-(trihydrogen diphosphate), mono(4-((bromoacetyl)amino)phenyl) ester
CAS Number(s)
  • 62036-99-1
InChIKey RQKFRKXXIQLRRR-RAEVTNRLSA-N
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Elements C H O N P Br