3'-Azido-3'-Deoxy-3-Methylthymidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C11H18N5O13P3
IUPAC Name [[(2s,3s,5r)-3-azido-5-(3,5-dimethyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 521.208 g·mol−1
Heat of Formation -3012.6 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 504.46 Å 3
Surface Area 402.23 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy 1.30 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-azido-3'-deoxy-3-methylthymidine triphosphate
  • 3meazttp
  • [(2s,3s,5r)-3-azido-5-(2,4-diketo-3,5-dimethyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,3s,5r)-3-azido-5-(3,5-dimethyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2s,3s,5r)-3-azido-5-(3,5-dimethyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,3s,5r)-3-azido-5-(3,5-dimethyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,3s,5r)-3-azido-5-(3,5-dimethyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • n(3)-meazttp
  • n(3)-methyl-azt-tp
CAS Number(s)
  • 142644-39-1
InChIKey BCKSKZMQRQEMCL-DJLDLDEBSA-N
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