2'-Azido-2'-Deoxycytidine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C9H16N6O13P3
IUPAC Name [[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 509.177 g·mol−1
Heat of Formation -2876.4 ± 16.7 kJ·mol−1
Dipole Moment 7.96 ± 1.08 D
Volume 476.77 Å 3
Surface Area 404.7 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-2'-azidocytidine triphosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-azido-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-azido-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxopyrimidin-1-yl)-4-azido-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • cytidine 5'-(tetrahydrogen triphosphate), 2'-azido-2'-deoxy-
CAS Number(s)
  • 62192-83-0
InChIKey HWSNFUNJICGTGY-XVFCMESISA-N
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