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

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Properties Simple | Detailed

Formula C20H23N6O15P3S
IUPAC Name 5-[[[[[(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]naphthalene-1-sulfonic acid
Molecular Mass 712.414 g·mol−1
Heat of Formation -3246.5 ± 16.7 kJ·mol−1
Dipole Moment 8.75 ± 1.08 D
Volume 676.51 Å 3
Surface Area 469.03 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[[[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]-1-naphthalenesulfonic acid
  • 5-[[[[[(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]naphthalene-1-sulfonic acid
  • 5-[[[[[(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]naphthalene-1-sulfonic acid
  • 5-[[[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]amino]naphthalene-1-sulfonic acid
  • adenosine triphosphate-1-aminonaphthalene-5-sulfonate
  • adenosine-5'-(trihydrogen diphosphate), 5'-p-monoanhydride with 5-(phosphonoamino)-1-naphthalenesulfonic acid
  • atp-1-aminonaphthalene-5-sulfonate
  • atp-ans
CAS Number(s)
  • 66492-86-2
InChIKey IVVJOUNYPZPCPK-AEVYOOLXSA-N
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