Thymidine 5'-(Tetrahydrogen Triphosphate) 3'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C10H19N2O20P5
IUPAC Name [(2r,3s,5r)-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] phosphono hydrogen phosphate
Molecular Mass 642.128 g·mol−1
Heat of Formation -5196.6 ± 16.7 kJ·mol−1
Dipole Moment 7.01 ± 1.08 D
Volume 582.72 Å 3
Surface Area 474.64 Å 2
HOMO Energy -9.82 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,5r)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • [(2r,3s,5r)-2-[[hydroxy-(hydroxy-phosphonooxyphosphoryl)oxyphosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-tetrahydrofuranyl] phosphono hydrogen phosphate
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] phosphono hydrogen phosphate
  • pptppp
  • thymidine 5'-(tetrahydrogen triphosphate), 3'-(trihydrogen diphosphate)
  • thymidine-5'-tri-3'-diphosphate
CAS Number(s)
  • 73909-63-4
InChIKey USELZJUBXJZGGJ-XLPZGREQSA-N
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