5'-O-Aminothymidine

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Properties Simple | Detailed

Formula C10H16N3O5+
IUPAC Name 1-[(2r,4s,5r)-5-(aminooxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 258.251 g·mol−1
Heat of Formation -762.4 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 285.78 Å 3
Surface Area 254.39 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-5-(aminooxymethyl)-4-hydroxy-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-5-(aminooxymethyl)-4-hydroxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-5-(aminooxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-5-(aminooxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 1-[(2r,4s,5r)-5-(aminooxymethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 5'-aminothymidine
  • 5-(aminomethyl)-2'-deoxyuridine
CAS Number(s)
  • 70465-55-3
InChIKey CHNUETKYLYMAAU-XLPZGREQSA-N
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