5'-O-[(R)-Hydroxy{[(R)-Hydroxy({(S)-Hydroxy[(1R)-1-(2-Nitrophenyl)Ethoxy]Phosphoryl}Oxy)Phosphoryl]Oxy}Phosphoryl]Guanosine

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Properties Simple | Detailed

Formula C18H23N6O16P3
IUPAC Name [[(2r,3s,4r,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[(1r)-1-(2-nitrophenyl)ethoxy]phosphoryl] hydrogen phosphate
Molecular Mass 672.327 g·mol−1
Heat of Formation -3162.2 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 667.86 Å 3
Surface Area 525.97 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.59 ± 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 [hydroxy-[hydroxy-[(1r)-1-(2-nitrophenyl)ethoxy]phosphoryl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [hydroxy-[hydroxy-[(1r)-1-(2-nitrophenyl)ethoxy]phosphoryl]oxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[hydroxy-[(1r)-1-(2-nitrophenyl)ethoxy]phosphoryl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[hydroxy-[(1r)-1-(2-nitrophenyl)ethoxy]phosphoryl]oxy-phosphoryl] hydrogen phosphate
  • cag
  • guanosine 5'-triphosphate p3-[1-(2-nitrophenyl)ethyl ester]
InChIKey NYWDUFBXCCSYMK-JPDTYCKISA-N
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