(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-4-Fluoro-2-(Hydroxymethyl)Tetrahydro-3-Furanyl [(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl Hydrogen Phosphate

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Properties Simple | Detailed

Formula C19H24FN8O11P
IUPAC Name amino(hydroxy)ammonium; [2-(dicyanoamino)-3-fluoro-5-(oxomethylene)-2h-furan-4-yl] [4-(oxaziren-3-yl)-2,3,4-trioxo-butyl] phosphate; molecular nitrogen
Molecular Mass 590.413 g·mol−1
Heat of Formation -2064.5 ± 16.7 kJ·mol−1
Dipole Moment 10.21 ± 1.08 D
Volume 603.78 Å 3
Surface Area 436.06 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-2'-fluoroguanylyl-(3'-5')-cytidine
  • 2'-deoxy-2'-fluoroguanylyl-3',5'-cytidine
  • 2-dfgcyt
  • [(2r,3r,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-4-fluoro-2-methylol-tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(4-amino-2-keto-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-fluoro-2-(hydroxymethyl)-3-tetrahydrofuranyl] [(2r,3s,4r,5r)-5-(4-amino-2-oxo-1-pyrimidinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-yl] [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-4-fluoro-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • guanosine, cytidylyl-(5'-3')-2'-deoxy-2'-fluoro-
CAS Number(s)
  • 138853-61-9
InChIKey ZSBUMMSBXYRQAK-FOJQSULLSA-N
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