5'-O-[Hydroxy({Hydroxy[(Hydroxyphosphinato)Oxy]Phosphoryl}Oxy)Phosphoryl]-7-Methylguanosine

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Properties Simple | Detailed

Formula C11H18N5O14P3
IUPAC Name [[[(2r,3s,4r,5r)-5-(2-amino-7-methyl-6-oxo-3h-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 537.207 g·mol−1
Heat of Formation -3212.0 ± 16.7 kJ·mol−1
Dipole Moment 9.31 ± 1.08 D
Volume 494.31 Å 3
Surface Area 362.72 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purinium, 2-amino-6,9-dihydro-9-[5-o-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-d-ribofuranosyl]-7-methyl-6-oxo-, inner salt
  • 7-methylguanosinetriphosphate
  • 9h-purinium, 2-amino-6-hydroxy-9-[5-o-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-beta-d-ribofuranosyl]-7-methyl-, inner salt
  • [(2r,3s,4r,5r)-5-(2-amino-6-keto-7-methyl-3h-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-7-methyl-6-oxo-3h-purin-9-ium-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-7-methyl-6-oxo-3h-purin-9-ium-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-7-methyl-6-oxo-3h-purin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) phosphate
  • [(2r,3s,4r,5r)-5-(2-amino-7-methyl-6-oxo-3h-purin-9-ium-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) phosphate
  • [[[5-(2-amino-7-methyl-6-oxo-7,9-dihydro-5h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-hydroxy-phosphoryl]oxyphosphonic acid
  • guanosine 5'-(tetrahydrogen triphosphate), 7-methyl-, inner salt (9ci)
  • m7gtp
  • purinium, 2-amino-1,6-dihydro-7-methyl-6-oxo-9-beta-d-ribofuranosyl-, hydroxide, 5'-(tetrahydrogen triphosphate), inner salt (8ci)
InChIKey DKVRNHPCAOHRSI-KQYNXXCUSA-N
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