2'-Deoxy-2'-Fluoroadenosine 5'-(Tetrahydrogen Triphosphate)

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Properties Simple | Detailed

Formula C10H15FN5O12P3
IUPAC Name [[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 509.172 g·mol−1
Heat of Formation -3058.7 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 471.48 Å 3
Surface Area 396.3 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-2'-fluoroadenosine triphosphate
  • 2'-fluoro-2'-deoxyadenosine triphosphate
  • 2-dfladtp
  • 2-fluoro-datp
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-4-fluoro-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
CAS Number(s)
  • 73449-07-7
InChIKey CCXCDDWASROAJA-QYYRPYCUSA-N
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