9-[2,3-Dideoxy-2-Fluoro-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Threo-Pentofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C10H15FN5O11P3
IUPAC Name [[(2s,4s,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-fluoro-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 493.173 g·mol−1
Heat of Formation -2885.8 ± 16.7 kJ·mol−1
Dipole Moment 1.48 ± 1.08 D
Volume 462.31 Å 3
Surface Area 387.17 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 1.48 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-fddatp
  • 2',3'-dideoxy-2'-fluoroadenosine triphosphate
  • 2'-.beta.-fluoro-2',3'-dideoxyadenosine 5'-triphosphate
  • 2'-f-ddatp
  • 9-(2,3-dideoxy-2-fluoro-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-threo-pentofuranosyl)-9h-purin-6-amine
  • 9h-purin-6-amine, 9-(2,3-dideoxy-2-fluoro-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-threo-pentofuranosyl)-
  • 9h-purin-6-amine, 9-[2,3-dideoxy-2-fluoro-5-o-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-d-threo-pentofuranosyl]-
  • [(2s,4s,5r)-5-(6-amino-9-purinyl)-4-fluoro-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-fluoro-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-fluoro-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2s,4s,5r)-5-(6-aminopurin-9-yl)-4-fluorooxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • fdda-tp
  • fddatp
  • lodenosine-triphosphate
CAS Number(s)
  • 128531-73-7
InChIKey XTYFOHFICSGRIG-JFWOZONXSA-N
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