(1S)-1,4-Anhydro-1-(4-Oxo-2-Thioxo-1,2,3,4-Tetrahydro-5-Pyrimidinyl)-D-Ribitol

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Properties Simple | Detailed

Formula C9H12N2O5S++
IUPAC Name 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-thioxo-pyrimidin-4-one
Molecular Mass 260.267 g·mol−1
Heat of Formation -802.8 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 274.66 Å 3
Surface Area 251.46 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 2-thiopseudouridine
  • 4(1h)-pyrimidinone, 2,3-dihydro-5-beta-d-ribofuranosyl-2-thioxo-
  • 5-(beta-d-ribofuranosyl)-2-thiouracil
  • 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-2-thioxo-1h-pyrimidin-4-one
  • 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-sulfanylidene-1h-pyrimidin-4-one
  • 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-thioxo-1h-pyrimidin-4-one
  • 5-[(2s,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]-2-thioxo-1h-pyrimidin-4-one
CAS Number(s)
  • 59464-18-5
InChIKey DDHOXEOVAJVODV-GBNDHIKLSA-N
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