[(2R,3S,5R)-2-Azido-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H16N5O14P3
IUPAC Name [[(2r,3s,5r)-2-azido-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 523.180 g·mol−1
Heat of Formation -3175.5 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 495.27 Å 3
Surface Area 368.77 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • 130108-94-0 (tetrasodium salt)
  • 4'-azidothymidine 5'-triphosphate
  • 4'-azidothymidine 5'-triphosphate4'-azidothymidine 5'-triphosphate
  • 4'-azidothymidinetp deriv.
  • [(2r,3s,5r)-2-azido-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-2-azido-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-2-azido-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-2-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • adrt 5'-triphosphate
  • adrt-tp
  • thymidine 5'-(tetrahydrogen triphosphate), 4'-azido-thymidine 5'-(tetrahydrogen triphosphate), 4'-azido-thymidine 5'-(tetrahydrogen triphosphate), 4'-azido-
  • thymidine 5'-(tetrahydrogen triphosphate),4'-azido-
CAS Number(s)
  • 140158-13-0
InChIKey IWEKENYUWQNKCU-NYNCVSEMSA-N
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