2'-Deoxy-4'-Thiouridine

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Properties Simple | Detailed

Formula C9H12N2O4S++
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione
Molecular Mass 244.268 g·mol−1
Heat of Formation -676.3 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 265.76 Å 3
Surface Area 240.93 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrothiophenyl]pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrothiophen-2-yl]pyrimidine-2,4-quinone
InChIKey DDRFKXKKBYNNSO-SHYZEUOFSA-N
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