2-Chloro-ATP

[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Also Known As: 2-Chloro-ATP|2-Chloroadenosine-5-triphosphate|2-ClATP|2-Cl-ATP|2-Chloro-Adenosinetriphosphate|GTPL1716|2-chloroadenosine-5'-triphosphate|2-chloro-adenosine-5'-triphosphate|2-chloroadenosine 5'-(tetrahydrogen triphosphate)|2-Chloroadenosine 5 -triphosphoric acid|2-Chloroadenosine triphosphate tetrasodium hydrate|2- Chloroadenosine- 5'- triphosphate, sodium salt|[[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate|(((2R,3S,4R,5R)-5-(6-Amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid|(((2R,3S,4R,5R)-5-(6-Amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoricacid|((2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate|({[({[(2R,3S,4R,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid|[(2R,3S,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate|2-chloro-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine

Molecular Formula	C10H15ClN5O13P3
Molecular Weight	540.9568 g/mol
LogP	-4.7
Topological Polar Surface Area	279.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	17
Rotatable Bonds	8
Exact Mass	540.9568
Monoisotopic Mass	540.9568
Heavy Atoms	32
Complexity	836.0

Chemical Identifiers

CAS Number	5446-96-8
SMILES	C1=NC2=C(N=C(N=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)Cl)N
InChIKey	RNGCVFCOKZEZFL-UUOKFMHZSA-N