5'-O-[Hydroxy(4-Nitrophenoxy)Phosphoryl]Thymidine

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Formula C16H18N3O10P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (4-nitrophenyl) hydrogen phosphate
Molecular Mass 443.302 g·mol−1
Heat of Formation -1644.0 ± 16.7 kJ·mol−1
Dipole Moment 8.85 ± 1.08 D
Volume 460.17 Å 3
Surface Area 399.51 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-thymidylic acid, mono(4-nitrophenyl) ester
  • 4-nitrophenyl 3'-thymidylate
  • 5'-thymidylic acid, mono(4-nitrophenyl) ester
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl (4-nitrophenyl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl (4-nitrophenyl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl (4-nitrophenyl) hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (4-nitrophenyl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (4-nitrophenyl) hydrogen phosphate
  • pnppt
  • thymidine 3'-phosphate 4-nitrophenyl ester
  • thymidine 5'-4-nitrophenyl phosphate
CAS Number(s)
  • 78645-38-2
  • 2304-08-7
  • 66632-22-2
  • 86849-20-9
  • 16562-50-8
  • 26886-08-8
InChIKey RWOAVOYBVRQNIZ-BFHYXJOUSA-N
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