5'-[(Chloroacetyl)Amino]-5'-Deoxythymidine

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Properties Simple | Detailed

Formula C12H16ClN3O5
IUPAC Name 2-chloro-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]acetamide
Molecular Mass 317.726 g·mol−1
Heat of Formation -935.2 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 350.76 Å 3
Surface Area 311.62 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-chloro-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl]acetamide
  • 2-chloro-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl]ethanamide
  • 2-chloro-n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]acetamide
  • 2-chloro-n-[[(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]acetamide
  • 5'-cat
  • 5'-chloroacetamido-5'-deoxythymidine
InChIKey SNBCLPGEMZEWLU-QXFUBDJGSA-N
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