2'-Deoxy-5-[(Methylsulfanyl)Methyl]Uridine

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Properties Simple | Detailed

Formula C11H16N2O5S
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-(methylsulfanylmethyl)pyrimidine-2,4-dione
Molecular Mass 288.320 g·mol−1
Heat of Formation -892.0 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 319.29 Å 3
Surface Area 272.86 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2-deoxy- -d-ribofuranosyl)-alpha-(methylthio)thymine
InChIKey QCLATSBPFHHBQC-DJLDLDEBSA-N
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