1-[(2R,4S,5R)-4-Hydroxy-5-{[(Methylsulfanyl)Oxy]Methyl}Tetrahydro-2-Furanyl]-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H16N2O5S++
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(methylsulfanyloxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 288.320 g·mol−1
Heat of Formation -847.6 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 321.87 Å 3
Surface Area 275.5 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(methylsulfanyloxymethyl)oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(methylsulfanyloxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(methylsulfanyloxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-[(methylthio)oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 4-methylthiothymidine
  • 5-((methylthio)methyl)-2'-deoxyuridine
  • methanesulfenic acid [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl ester
  • methm-deoxyuridine
  • thymidine, alpha-(methylthio)-
InChIKey GLTPIFGGISPKCB-DJLDLDEBSA-N
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