2-Amino-9-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Arabinofuranosyl]-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H16N5O14P3
IUPAC Name [[(2r,3s,4s,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 523.180 g·mol−1
Heat of Formation -3241.2 ± 16.7 kJ·mol−1
Dipole Moment 13.70 ± 1.08 D
Volume 481.34 Å 3
Surface Area 374.24 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -1.69 ± eV
Point Group Symmetry C1
Synonyms
  • 6h-purin-6-one, 2-amino-1,9-dihydro-9-(5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-arabinofuranosyl)-
  • 9beta-d-arabinofuranosylguanosine 5'-triphosphate
  • [(2r,3s,4s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,4s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • ara-gtp
CAS Number(s)
  • 72490-81-4
InChIKey XKMLYUALXHKNFT-FJFJXFQQSA-N
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