5-Methyl-4'-Thiouridine

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Properties Simple | Detailed

Formula C10H14N2O5S
IUPAC Name 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 274.294 g·mol−1
Heat of Formation -888.0 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 298.05 Å 3
Surface Area 262.68 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 1.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(4'-thio-beta-ribofuranosyl)thymine
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrothiophenyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrothiophen-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 1-ribo-4'-thiothymine
  • uridine, 5-methyl-4'-thio-
CAS Number(s)
  • 6741-71-5
InChIKey CKHFVQVATAWGSH-JXOAFFINSA-N
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