3'-Azido-5'-O-[Bis(4-Nitrophenoxy)Phosphoryl]-3'-Deoxythymidine

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Properties Simple | Detailed

Formula C16H24N7O11P
IUPAC Name dinitronium; imino-[5-(5-methylene-2,6-dioxo-4h-pyrimidin-1-ium-3-yl)tetrahydrofuran-3-yl]imino-ammonium; isopropenyl methyl phosphate; prop-1-yne
Molecular Mass 521.376 g·mol−1
Heat of Formation -1031.5 ± 16.7 kJ·mol−1
Dipole Moment 7.76 ± 1.08 D
Volume 610.72 Å 3
Surface Area 497.87 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy -1.94 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-azido-3'-deoxythymidine 5'-bis(4-nitrophenyl)phosphate
  • 5'-thymidylic acid, 3'-azido-3'-deoxy-, bis(4-nitrophenyl) ester
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl bis(4-nitrophenyl) phosphate
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl bis(4-nitrophenyl) phosphate
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl bis(4-nitrophenyl) phosphate
  • phosphoric acid [(2s,3s,5r)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl bis(4-nitrophenyl) ester
  • phosphoric acid [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl bis(4-nitrophenyl) ester
CAS Number(s)
  • 142629-84-3
InChIKey SZNPXGNCMDBAAE-XUVXKRRUSA-N
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