ATP-1-aminonaphthalene-5-sulfonate

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

Also Known As: ATP-Ans|ATP-1-Aminonaphthalene-5-sulfonate|Adenosine triphosphate-1-aminonaphthalene-5-sulfonate|5'-o-(hydroxy{[hydroxy({hydroxy[(5-sulfonaphthalen-1-yl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)adenosine|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|9-[5-O-(Hydroxy{[hydroxy({hydroxy[(5-sulfonaphthalen-1-yl)amino]phosphoryl}oxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine|Adenosine---5'-(trihydrogen diphosphate), 5'-P-monoanhydride with 5-(phosphonoamino)-1-naphthalenesulfonic acid|Adenosine-5'-(trihydrogen diphosphate), 5'-P-monoanhydride with 5-(phosphonoamino)-1-naphthalenesulfonic acid

Molecular Formula	C20H23N6O15P3S
Molecular Weight	712.0155 g/mol
LogP	-2.8
Topological Polar Surface Area	334.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	20
Rotatable Bonds	11
Exact Mass	712.0155
Monoisotopic Mass	712.0155
Heavy Atoms	45
Complexity	1330.0

Chemical Identifiers

CAS Number	66492-86-2
SMILES	C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O
InChIKey	IVVJOUNYPZPCPK-AEVYOOLXSA-N