5'-O-(Bromoacetyl)Uridine

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Properties Simple | Detailed

Formula C11H13BrN2O7
IUPAC Name [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-bromoacetate
Molecular Mass 365.134 g·mol−1
Heat of Formation -1203.8 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 334.44 Å 3
Surface Area 295.83 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
Synonyms
  • 2'(3')-o-bromoacetyluridine
  • 2-bromoacetic acid [(2r,3s,4r,5r)-5-(2,4-diketopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl ester
  • 2-bromoacetic acid [(2r,3s,4r,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl ester
  • [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl 2-bromoethanoate
  • [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl 2-bromoacetate
  • bracurd
  • uridine, 2'(or 3')-(bromoacetate)
CAS Number(s)
  • 27477-69-6
InChIKey JOPWEGRFZNWWMQ-UUOKUNOPSA-N
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Elements H C O Br N