[(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 C10H17N5O14P3
IUPAC Name [[[(2r,3s,5r)-2-azido-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 524.188 g·mol−1
Heat of Formation -3192.0 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 490.65 Å 3
Surface Area 397.47 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.43 ± 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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