9-[2-Deoxy-5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-β-D-Erythro-Pentofuranosyl]-6-Methoxy-9H-Purin-2-Amine

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Properties Simple | Detailed

Formula C11H18N5O13P3
IUPAC Name [[(2r,3s,5r)-5-(2-amino-6-methoxy-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 521.208 g·mol−1
Heat of Formation -3050.9 ± 16.7 kJ·mol−1
Dipole Moment 4.66 ± 1.08 D
Volume 489.06 Å 3
Surface Area 368.28 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxy-6-o-methoxyguanosine 5'-(tetrahydrogen triphosphate)
  • 9h-purin-2-amine, 9-(2-deoxy-5-o-(hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)-beta-d-erythro-pentofuranosyl)-6-methoxy-
  • [(2r,3s,5r)-5-(2-amino-6-methoxy-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-methoxy-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,3s,5r)-5-(2-amino-6-methoxy-purin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • guanosine 5'-(tetrahydrogen triphosphate), 2'-deoxy-6-o-methoxy-
  • o(6)-methyldeoxyguanosine triphosphate
  • o6-methyldeoxyguanosine triphosphate
CAS Number(s)
  • 63642-16-0
InChIKey DBLXDDWXGWLUAZ-RRKCRQDMSA-N
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