5'-Deoxy-5'-[(Iodoacetyl)Amino]Thymidine

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Properties Simple | Detailed

Formula C12H16IN3O5
IUPAC Name n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methyl]-2-iodo-acetamide
Molecular Mass 409.177 g·mol−1
Heat of Formation -844.8 ± 16.7 kJ·mol−1
Dipole Moment 3.15 ± 1.08 D
Volume 368.45 Å 3
Surface Area 321.23 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-deoxy-5'-((iodoacetyl)amino)thymidine
  • 5'-iat
  • 5'-iodoacetamido-5'-deoxythymidine
  • n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl]-2-iodoacetamide
  • n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl]-2-iodo-ethanamide
  • n-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-2-iodo-acetamide
  • n-[[(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-2-iodo-acetamide
  • thymidine, 5'-deoxy-5'-((iodoacetyl)amino)-
CAS Number(s)
  • 101314-73-2
InChIKey NWGXFMGORNLEMS-QXFUBDJGSA-N
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