2'-Deoxy-5'-O-[(S)-Hydroxy{[(R)-Hydroxy(Phosphonoamino)Phosphoryl]Oxy}Phosphoryl]-3'-O-[2-(Methylamino)Benzoyl]Guanosine

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Properties Simple | Detailed

Formula C18H24N7O13P3
IUPAC Name [[[[(2r,3s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3-[2-(methylamino)benzoyl]oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
Molecular Mass 639.344 g·mol−1
Heat of Formation -2883.1 ± 16.7 kJ·mol−1
Dipole Moment 9.44 ± 1.08 D
Volume 640.59 Å 3
Surface Area 519.92 Å 2
HOMO Energy -8.49 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • [[[[(2r,3s,5r)-5-(2-amino-6-keto-3h-purin-9-yl)-3-(2-methylaminobenzoyl)oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
  • [[[[(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-(2-methylaminobenzoyl)oxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
  • [[[[(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-(2-methylaminophenyl)carbonyloxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]phosphonic acid
  • [[[[(2r,3s,5r)-5-(2-amino-6-oxo-3h-purin-9-yl)-3-[(2-methylaminophenyl)-oxomethoxy]-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]phosphonic acid
  • agn
  • phosphoaminophosphonic acid 3'-o-(n-methylanthraniloyl-2'-deoxyguanylate ester
InChIKey KKDONOVTNFZJLO-YNEHKIRRSA-N
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