1-(5-O-Phosphono-β-D-Ribofuranosyl)-4-Thioxo-3,4-Dihydro-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C9H13N2O8PS++
IUPAC Name [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 340.247 g·mol−1
Heat of Formation -1604.6 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 342.46 Å 3
Surface Area 309.35 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-keto-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-4-thioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
InChIKey CKTAUHRBDDXUDJ-XVFCMESISA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S