[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3,6-Dihydro-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (2R,3R,4S,5S,6R)-3-Fluoro-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C16H24FN5O15P2
IUPAC Name [(2r,3r,4s,5s,6r)-3-fluoro-4,5-dioxido-6-(oxidomethyl)tetrahydropyran-2,3-diid-2-yl] [[(2r,3s,4r,5r)-5-(2-λ1-azanyl-6-oxo-purine-1,3-diium-9-yl)-3,4-dioxido-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] phosphate
Molecular Mass 607.332 g·mol−1
Heat of Formation -3287.1 ± 16.7 kJ·mol−1
Dipole Moment 13.73 ± 1.08 D
Volume 603.29 Å 3
Surface Area 449.59 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.80 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • gdp-2fman
  • guanosine 5'-(trihydrogen diphosphate), mono(2-deoxy-2-fluoro-alpha-d-mannopyranosyl) ester
  • guanosine diphosphate 2-deoxy-2-fluoromannose ester
CAS Number(s)
  • 67341-46-2
InChIKey XCTFCJLBVWFRGN-MZLYXUEVSA-N
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