4-Amino-1-[2-Deoxy-2-Fluoro-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Arabinofuranosyl]-5-Methyl-2(1H)-Pyrimidinone

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Properties Simple | Detailed

Formula C10H17FN3O13P3+
IUPAC Name [[(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 499.174 g·mol−1
Heat of Formation -3405.9 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 471.85 Å 3
Surface Area 376.65 Å 2
HOMO Energy -9.17 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2'-deoxy-2'-fluoro-beta-arabinofuranosyl)-5-methylcytosine triphosphate
  • 1-(2'-deoxy-2'-fluoro-beta-l-arabinofuranosyl)-5-methyluracil 5'-triphosphate
  • 1-dfamct
  • 2(1h)-pyrimidinone, 4-amino-1-(2-deoxy-2-fluoro-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-arabinofuranosyl)-5-methyl-
  • 2(1h)-pyrimidinone, 4-amino-1-[2-deoxy-2-fluoro-5-o-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-.beta.-d-arabinofuranosyl]-5-methyl-
  • [(2r,3r,4s,5r)-5-(4-amino-2-keto-5-methyl-pyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxo-1-pyrimidinyl)-4-fluoro-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxo-pyrimidin-1-yl)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3r,4s,5r)-5-(4-amino-5-methyl-2-oxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • fmactp
  • l-fmau-tp
CAS Number(s)
  • 79570-62-0
InChIKey ZGJOFWKMPGJMDN-JVZYCSMKSA-N
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