5'-O-[{[{[(4-Aminophenoxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]-7-Methyl-7,8-Dihydroguanosine

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Properties Simple | Detailed

Formula C17H25N6O14P3
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(4-aminophenoxy)-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
Molecular Mass 630.333 g·mol−1
Heat of Formation -3117.3 ± 16.7 kJ·mol−1
Dipole Moment 10.26 ± 1.08 D
Volume 633.47 Å 3
Surface Area 503.51 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 4-ap-m(7)gtp
  • 7-methylguanosine 5'-triphosphate 4-aminophenyl gamma-ester
  • [(2r,3s,4r,5r)-5-(2-amino-6-keto-7-methyl-3,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(4-aminophenoxy)-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(4-aminophenoxy)-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(4-aminophenoxy)-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-7-methyl-6-oxo-3,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(4-aminophenoxy)-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • gamma-(4-aminophenyl) 7-methylguanosine 5'-triphosphate
CAS Number(s)
  • 88106-70-1
InChIKey SLAPWEDGAUBNSE-XNIJJKJLSA-N
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