5'-O-{Hydroxy[(Hydroxy{[Hydroxy({2-[(5-Sulfo-1-Naphthyl)Amino]Ethyl}Amino)Phosphoryl]Oxy}Phosphoryl)Oxy]Phosphoryl}Adenosine

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Formula C22H30N7O15P3S
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-[2-[(5-sulfo-1-naphthyl)amino]ethyl]phosphonamidic acid
Molecular Mass 757.498 g·mol−1
Heat of Formation -3150.6 ± 16.7 kJ·mol−1
Dipole Moment 5.99 ± 1.08 D
Volume 747.49 Å 3
Surface Area 578.49 Å 2
HOMO Energy -8.55 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[2-[[[[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]ethylamino]-1-naphthalenesulfonic acid
  • 5-[2-[[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]ethylamino]naphthalene-1-sulfonic acid
  • 5-[2-[[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]amino]ethylamino]naphthalene-1-sulfonic acid
  • 5-[2-[[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]ethylamino]naphthalene-1-sulfonic acid
  • adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate
  • gamma-1,5-edans-atp
CAS Number(s)
  • 102415-55-4
InChIKey KRFAVSHDVRABPO-CIVUBGFFSA-N
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