1-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Ribofuranosyl]-4-Thioxo-3,4-Dihydro-2(1H)-Pyrimidinone

Molecule SVG Image

Properties Simple | Detailed

Formula C9H15N2O14P3S
IUPAC Name [[(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 500.207 g·mol−1
Heat of Formation -3360.6 ± 16.7 kJ·mol−1
Dipole Moment 6.87 ± 1.08 D
Volume 458.93 Å 3
Surface Area 350.85 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • 4-s-utp
  • 4-thio-utp
  • 4-thiouridine triphosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-keto-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidene-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-4-sulfanylidenepyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-4-thioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-3,4-dihydroxy-5-(2-oxo-4-thioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • uridine 5'-(tetrahydrogen triphosphate), 4-thio-
CAS Number(s)
  • 31556-28-2
InChIKey GKVHYBAWZAYQDO-XVFCMESISA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S