1-[2,3-Anhydro-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-2-Thio-β-D-Lyxofuranosyl]-5-Methyl-2,4(1H,3H)-Pyrimidinedione

Molecule SVG Image

Properties Simple | Detailed

Formula C10H15N2O13P3S++
IUPAC Name [hydroxy-[[(1s,2r,4r,5r)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 496.218 g·mol−1
Heat of Formation -3150.8 ± 16.7 kJ·mol−1
Dipole Moment 5.30 ± 1.08 D
Volume 463.27 Å 3
Surface Area 351.33 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • (hydroxy-phosphonooxy-phosphoryl) [(1s,2r,4r,5r)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxyphosphoryl) [(1s,2r,4r,5r)-4-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxyphosphoryl) [(1s,2r,4r,5r)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methyl hydrogen phosphate
  • 1-(2',3'-epithio-2',3'-dideoxy-beta-d-lyxofuranosyl)thymine 5'-triphosphate
  • 1-(2',3'-epithio-2',3'-dideoxy-beta-d-ribofuranosyl)thymine 5'-triphosphate
  • 1-(2,3-dideoxy-2,3-epithio-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-lyxofuranosyl)-5-methyl-2,4(1h,3h)-pyrimidinedione
  • 2',3'-dideoxy-2',3'-epithio-5-methyluridine 5'-(tetrahydrogen triphosphate)
  • 2,4(1h,3h)-pyrimidinedione, 1-(2,3-dideoxy-2,3-epithio-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-lyxofuranosyl)-5-methyl-
  • [(1s,2r,4r,5r)-4-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-oxa-6-thiabicyclo[3.1.0]hexan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • rtttp
  • uridine 5'-(tetrahydrogen triphosphate), 2',3'-dideoxy-2',3'-epithio-5-methyl-
CAS Number(s)
  • 152158-10-6
  • 152158-09-3
InChIKey CRXKEUULXKZHHS-UTSKPXGSSA-N
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