3'-Thiothymidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H17N2O13P3S++
IUPAC Name [hydroxy-[[(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-sulfanyl-tetrahydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 498.234 g·mol−1
Heat of Formation -3289.1 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 468.49 Å 3
Surface Area 362.77 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • (hydroxy-phosphonooxy-phosphoryl) [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-sulfanyl-oxolan-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxy-phosphoryl) [(2r,3s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-3-sulfanyl-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxyphosphoryl) [(2r,3s,5r)-3-mercapto-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxyphosphoryl) [(2r,3s,5r)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-3-sulfanyloxolan-2-yl]methyl hydrogen phosphate
  • 3'-mercapto-3'-deoxythymidine triphosphate
  • 3'-mercapto-3'-deoxythymidine-5'-triphosphate
  • 3'-shdttp
  • 3-mdttp
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-mercapto-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • thymidine 5'-(tetrahydrogen triphosphate), 3'-thio-
CAS Number(s)
  • 135490-62-9
InChIKey CAPCNIFVHOVZCQ-GJMOJQLCSA-N
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