Triphosphoric Acid, Mono[[(2R,5S)-5-(4-Amino-5-Fluoro-2-Oxo-1(2H)-Pyrimidinyl)-1,3-Oxathiolan-2-Yl]Methyl] Ester

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Properties Simple | Detailed

Formula C8H13FN3O12P3S
IUPAC Name [[(2r,5s)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 487.186 g·mol−1
Heat of Formation -3146.1 ± 16.7 kJ·mol−1
Dipole Moment 5.31 ± 1.08 D
Volume 444.97 Å 3
Surface Area 349.21 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.61 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-2',3'-deoxy-5-fluoro-3'-thiacytidine-5'-triphosphate
  • (-)-ftc-tp
  • (-)-ftctp
  • [(2r,5s)-5-(4-amino-5-fluoro-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,5s)-5-(4-amino-5-fluoro-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,5s)-5-(4-amino-5-fluoro-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • ftctp
  • l-fsddctp
InChIKey WIEOLFZNMKSGEX-NTSWFWBYSA-N
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