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

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Properties Simple | Detailed

Formula C22H28N7O15P3S
IUPAC Name 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
Molecular Mass 755.482 g·mol−1
Heat of Formation -3234.0 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 750.81 Å 3
Surface Area 517.24 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy -1.41 ± 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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