5'-(Bromoacetamido)-5'-Deoxythymidine

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Properties Simple | Detailed

Formula C12H16BrN3O5
IUPAC Name 2-bromo-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]acetamide
Molecular Mass 362.177 g·mol−1
Heat of Formation -894.3 ± 16.7 kJ·mol−1
Dipole Moment 4.05 ± 1.08 D
Volume 355.79 Å 3
Surface Area 310.05 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl]acetamide
  • 2-bromo-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl]ethanamide
  • 2-bromo-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]acetamide
  • 2-bromo-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]acetamide
  • 2-bromo-n-[[(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]acetamide
InChIKey ADGOHIZJIRUSTK-QXFUBDJGSA-N
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