2'-Deoxy-5'-O-[({[Difluoro(Phosphono)Methyl](Hydroxy)Phosphoryl}Oxy)(Hydroxy)Phosphoryl]Guanosine

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Properties Simple | Detailed

Formula C11H16F2N5O12P3
IUPAC Name [[[[(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid
Molecular Mass 541.189 g·mol−1
Heat of Formation -3221.6 ± 16.7 kJ·mol−1
Dipole Moment 12.30 ± 1.08 D
Volume 501.04 Å 3
Surface Area 368.8 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
Synonyms
  • [[[[(2r,3s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid
  • [[[[(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]-difluoromethyl]phosphonic acid
  • [[[[(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid
  • [[[[(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-difluoro-methyl]phosphonic acid
  • gff
InChIKey BLHFKUNEUAHYSE-KVQBGUIXSA-N
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