2-Amino-9-{2-Deoxy-5-O-[Hydroxy(Phosphonooxy)Phosphoryl]-3-C-[2-(Methylamino)Benzoyl]-α-D-Erythro-Pentofuranosyl}-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C18H22N6O11P2
IUPAC Name [(2r,3s,5s)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-3-[2-(methylamino)benzoyl]tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 560.348 g·mol−1
Heat of Formation -2218.0 ± 16.7 kJ·mol−1
Dipole Moment 17.58 ± 1.08 D
Volume 563.57 Å 3
Surface Area 458.07 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.67 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxyguanosine 5'-(trihydrogen diphosphate) 3'-(2-(methylamino)benzoate)
  • 3'-(methylanthraniloyl)-2'-deoxy-guanosine diphosphate
  • [(2r,3s,5s)-5-(2-amino-6-keto-3h-purin-9-yl)-3-hydroxy-3-(2-methylaminobenzoyl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,5s)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-3-(2-methylaminobenzoyl)oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,5s)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-3-(2-methylaminobenzoyl)tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,5s)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-3-(2-methylaminophenyl)carbonyl-oxolan-2-yl]methyl phosphono hydrogen phosphate
  • [(2r,3s,5s)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-hydroxy-3-[(2-methylaminophenyl)-oxomethyl]-2-tetrahydrofuranyl]methyl phosphono hydrogen phosphate
  • guanosine 5'-(trihydrogen diphosphate), 2'-deoxy-, 3'-(2-(methylamino)benzoate)
  • mant-gdp
CAS Number(s)
  • 127383-33-9
InChIKey VYFYYESMHPKEAD-SOZUMNATSA-N
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