3'-Azido-3'-Deoxy-5'-O-Isonicotinoylthymidine

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Properties Simple | Detailed

Formula C16H16N6O5
IUPAC Name [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 3h-pyridin-1-ium-3-ide-4-carboxylate
Molecular Mass 372.335 g·mol−1
Heat of Formation -394.6 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 408.72 Å 3
Surface Area 357.41 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
Synonyms
  • 4-pyridinecarboxylic acid [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl ester
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl pyridine-4-carboxylate
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl pyridine-4-carboxylate
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl pyridine-4-carboxylate
  • azt-iso
  • azt-prodrug
  • isonicotinic acid 3-azido-5-(5-methyl-2,4-dioxo-tetrahydro-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester-
  • isonicotinic acid [(2s,3s,5r)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester
InChIKey OYFFXILVYKNQTK-YNEHKIRRSA-N
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