5'-O-[(R)-{[(R)-{[(S)-{[(S)-[(2-Amino-4-Oxo-1,4,7,8-Tetrahydro-6-Pteridinyl)Methoxy](Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C17H24N10O17P4
IUPAC Name [(2-amino-4-oxo-7,8-dihydro-3h-pteridine-1,5-diium-6-yl)methoxy-hydroxy-phosphoryl] [[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
Molecular Mass 764.324 g·mol−1
Heat of Formation -3804.9 ± 16.7 kJ·mol−1
Dipole Moment 8.57 ± 1.08 D
Volume 727.37 Å 3
Surface Area 616.26 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • 6-(adenosine tetraphosphate-methyl)-7,8-dihydropterin
  • [[[(2-amino-4-keto-7,8-dihydro-1h-pteridin-6-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [[[(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • [[[(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [[[(2-amino-4-oxo-7,8-dihydro-1h-pteridin-6-yl)methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
InChIKey ZKRKFZJAQKKHKL-SUGPNEFASA-N
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