3'-Azido-3'-Deoxy-5'-O-(Hydroxy{[(2S,5R)-5-(6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)Tetrahydro-2-Furanyl]Methoxy}Phosphoryl)Thymidine

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Formula C20H24N9O9P
IUPAC Name [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl [(2s,5r)-5-(6-oxo-3h-purine-1,7-diium-4-id-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 565.433 g·mol−1
Heat of Formation -1309.6 ± 16.7 kJ·mol−1
Dipole Moment 11.26 ± 1.08 D
Volume 590.34 Å 3
Surface Area 421.77 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-azido-3'-deoxythymidilyl-(5', 5')-2', 3'-dideoxy-5'-inosinic acid
  • 3'-azido-3'-deoxythymidilyl-(5',5')-2',3'-dideoxy-5'-inosinic acid
  • [(2s,3s,5r)-3-azido-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl [(2s,5r)-5-(6-keto-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl [(2s,5r)-5-(6-oxo-3h-purin-9-yl)-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl [(2s,5r)-5-(6-oxo-3h-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl [(2s,5r)-5-(6-oxo-3h-purin-9-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2s,3s,5r)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [(2s,5r)-5-(6-oxo-3h-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate
  • inosine, 3'-azido-3'-deoxythymidylyl-(5'-5')-2',3'-dideoxy-
CAS Number(s)
  • 121135-53-3
InChIKey XURFYCWNUGWGDL-VQJWOFKYSA-N
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