3-Methylthymidine

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Properties Simple | Detailed

Formula C11H16N2O5
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,5-dimethyl-pyrimidine-2,4-dione
Molecular Mass 256.255 g·mol−1
Heat of Formation -902.5 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 291.39 Å 3
Surface Area 260.95 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.31 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3,5-dimethylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,5-dimethylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3,5-dimethyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3,5-dimethyl-pyrimidine-2,4-quinone
  • 2,4(1h,3h)-pyrimidinedione, 1-(2-deoxy-.beta.-d-erythro-pentofuranosyl)-3,5-dimethyl-
  • methylthymidine
  • n-3-(methyl)-thd
  • thymidine, 3-methyl-
CAS Number(s)
  • 958-74-7
InChIKey JCVDICFLPGDHAT-DJLDLDEBSA-N
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