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

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Formula C9H13N5O11P2
IUPAC Name [(2r,3s,4r,5r)-4-azido-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 429.174 g·mol−1
Heat of Formation -2231.8 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 417.67 Å 3
Surface Area 350.6 Å 2
HOMO Energy -10.04 ± 0.55 eV
LUMO Energy -1.60 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-4-azido-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-4-azido-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-4-azido-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,4r,5r)-4-azido-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
InChIKey JPDZOZSNEDHGDF-XVFCMESISA-N
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