2-Amino-9-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-α-D-Ribofuranosyl]-3,9-Dihydro-6H-Purine-6-Thione

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Properties Simple | Detailed

Formula C10H16N5O13P3S
IUPAC Name [[(2r,3s,4r,5s)-5-(2-amino-6-thioxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 539.246 g·mol−1
Heat of Formation -2993.1 ± 16.7 kJ·mol−1
Dipole Moment 16.85 ± 1.08 D
Volume 499.79 Å 3
Surface Area 389.93 Å 2
HOMO Energy -7.60 ± 0.55 eV
LUMO Energy -2.13 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-6-mercapto-9-ribofuranosylpurine 5'-triphosphate
  • 6-mercapto-gtp
  • 6-thioguanosine 5'-triphosphate
  • 9beta-d-ribofuranosyl-2-amino-6-mercaptopurine 5'-triphosphate
  • [(2r,3s,4r,5s)-5-(2-amino-6-sulfanylidene-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2-amino-6-sulfanylidene-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2-amino-6-thioxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4r,5s)-5-(2-amino-6-thioxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • guanosine 5'-(tetrahydrogen triphosphate), 6-thio-
  • s6-gtp
  • thiogtp
CAS Number(s)
  • 17670-19-8
  • 29983-83-3
InChIKey QENYANNAQSWPLM-BDXYJKHTSA-N
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