5'-O-Methylthymidine

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Properties Simple | Detailed

Formula C11H16N2O5++
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(methoxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 256.255 g·mol−1
Heat of Formation -880.8 ± 16.7 kJ·mol−1
Dipole Moment 2.03 ± 1.08 D
Volume 289.33 Å 3
Surface Area 264.5 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(methoxymethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(methoxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(methoxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
InChIKey KTCKNHCDUKONFQ-DJLDLDEBSA-N
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