5-[(E)-2-(3-Azidophenyl)Vinyl]-2'-Deoxyuridine 5'-(Dihydrogen Phosphate)

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Properties Simple | Detailed

Formula C17H18N5O8P
IUPAC Name [(2r,3s,5r)-5-[5-[(e)-2-(3-azidophenyl)vinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 451.327 g·mol−1
Heat of Formation -1263.6 ± 16.7 kJ·mol−1
Dipole Moment 5.93 ± 1.08 D
Volume 480.4 Å 3
Surface Area 389.2 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4(1h,3h)-pyrimidinedione, 5-[(e)-2-(3-azidophenyl)ethenyl]-1-(2-deoxy-5-o-phosphono-b-d-erythro-pentofuranosyl)-
  • 3-azidostyryl-2'-deoxyuridine 5-phosphate
  • 5'-uridylic acid, 5-(2-(3-azidophenyl)ethenyl)-2'-deoxy-, (e)-
  • 5(e)-(3-azidostyryl)-dump
  • [(2r,3s,5r)-5-[5-[(e)-2-(3-azidophenyl)ethenyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-(3-azidophenyl)ethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-(3-azidophenyl)vinyl]-2,4-diketo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-(3-azidophenyl)vinyl]-2,4-dioxo-1-pyrimidinyl]-3-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2r,3s,5r)-5-[5-[(e)-2-(3-azidophenyl)vinyl]-2,4-dioxo-pyrimidin-1-yl]-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • asdup
CAS Number(s)
  • 73847-63-9
InChIKey RQGODBGSHDVKAI-NMJJRHIFSA-N
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