Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate

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

Also Known As: gamma-1,5-Edans-ATP|Adenosine-5'-triphosphoro-gamma-1-(5-sulfonic acid)naphthyl ethylamidate|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|5'-O-{hydroxy[(hydroxy{[hydroxy({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}adenosine|9-(5-O-{Hydroxy[(hydroxy{[hydroxy({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}amino)phosphoryl]oxy}phosphoryl)oxy]phosphoryl}pentofuranosyl)-9H-purin-6-amine

Molecular Formula	C22H28N7O15P3S
Molecular Weight	755.0577 g/mol
LogP	-3.8
Topological Polar Surface Area	346.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	21
Rotatable Bonds	14
Exact Mass	755.0577
Monoisotopic Mass	755.0577
Heavy Atoms	48
Complexity	1380.0

Chemical Identifiers

CAS Number	102415-55-4
SMILES	C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)NCCNP(=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	KRFAVSHDVRABPO-CIVUBGFFSA-N