5'-O-{Hydroxy[(Hydroxy{[Hydroxy({4-[(2-Hydroxyethyl)(Methyl)Amino]Benzyl}Amino)Phosphoryl]Oxy}Phosphoryl)Oxy]Phosphoryl}Adenosine

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Properties Simple | Detailed

Formula C20H30N7O13P3
IUPAC Name [[[(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]oxy-n-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl]phosphonamidic acid
Molecular Mass 669.413 g·mol−1
Heat of Formation -2899.0 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 696.88 Å 3
Surface Area 518.88 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -1.45 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(n-2-hydroxyethyl-n-methylamino)benzyl-gamma-amide atp
  • [[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-[[4-(2-hydroxyethyl-methylamino)phenyl]methyl]phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-[[4-(2-hydroxyethyl-methyl-amino)phenyl]methyl]phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-[4-(2-hydroxyethyl-methyl-amino)benzyl]phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-[[4-(2-hydroxyethyl-methyl-amino)phenyl]methyl]phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-[[4-(2-hydroxyethyl-methylamino)phenyl]methyl]phosphonamidic acid
  • adenosine 5'-(trihydrogen diphosphate), monoanhydride with ((4-((2-hydroxyethyl)methylamino)phenyl)methyl)phosphoramidic acid
  • adenosine triphosphate gamma-(4-(n-(2-hydroxyethyl)-n-methylamino)benzylamide)
  • atp gamma-(4-(n-(2-hydroxyethyl)-n-methylamino)benzylamide)
  • n-2-hmbatp
CAS Number(s)
  • 74536-50-8
InChIKey QXEZTRZFKVPUIH-WVSUBDOOSA-N
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