2'-Deoxy-5-Ethyl-4'-Thiouridine

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Properties Simple | Detailed

Formula C11H16N2O4S++
IUPAC Name 5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione
Molecular Mass 272.321 g·mol−1
Heat of Formation -733.9 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 311.44 Å 3
Surface Area 270.93 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrothiophenyl]pyrimidine-2,4-dione
  • 5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione
  • 5-ethyl-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]pyrimidine-2,4-quinone
InChIKey ONBZWIKPRXQNFE-DJLDLDEBSA-N
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