2'-Azido-2'-Deoxycytidine 5'-(Trihydrogen Diphosphate)

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Properties Simple | Detailed

Formula C9H15N6O10P2
IUPAC Name [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 429.197 g·mol−1
Heat of Formation -1965.7 ± 16.7 kJ·mol−1
Dipole Moment 7.47 ± 1.08 D
Volume 417.06 Å 3
Surface Area 357.42 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-azido-2'-deoxycytidine 5'-diphosphate
  • 2-azido-cdp
  • [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-4-azido-3-hydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-azido-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-4-azido-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • cytidine 5'-(trihydrogen diphosphate), 2'-azido-2'-deoxy-
CAS Number(s)
  • 51034-65-2
InChIKey WWFZAZQLWOJNAU-XVFCMESISA-N
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