2'-Deoxy-5-Sulfanyluridine

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Properties Simple | Detailed

Formula C9H12N2O5S
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-sulfanyl-pyrimidine-2,4-dione
Molecular Mass 260.267 g·mol−1
Heat of Formation -869.2 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 277.56 Å 3
Surface Area 248.72 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-mercaptopyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-sulfanyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-mercapto-pyrimidine-2,4-quinone
  • 2,4(1h,3h)-pyrimidinedione, 1-(2-deoxy-.beta.-d-erythro-pentofuranosyl)-5-mercapto-
  • 5-mercapto-2'-deoxyuridine
InChIKey NYTIUBZWEKOZRY-HBPOCXIASA-N
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