Acm-ATP

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

Also Known As: Acm-ATP|N(6)-((6-Aminohexyl)carbamoylmethyl)ATP|J1.690.846K|A-8889|N(6)-((6-Aminohexyl)carbamoylmethyl)adenosine triphosphate|Adenosine 5'-(tetrahydrogen triphosphate), N-(2-((6-aminohexyl)amino)-2-oxoethyl)-|adenosine, n-[2-[(6-aminohexyl)amino]-2-oxoethyl]-, 5'-(tetrahydrogen triphosphate)|N-[(6-Aminohexyl)carbamoylmethyl]adenosine 5 -triphosphoric acid|N-{2-[(6-Aminohexyl)imino]-2-hydroxyethyl}adenosine 5'-(tetrahydrogen triphosphate)|({[({[(2R,3S,4R,5R)-5-[6-({[(6-aminohexyl)carbamoyl]methyl}amino)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid|[[(2R,3S,4R,5R)-5-[6-[[2-(6-aminohexylamino)-2-oxoethyl]amino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate|N-{2-[(6-Aminohexyl)imino]-2-hydroxyethyl}-9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-9H-purin-6-amine

Molecular Formula	C18H32N7O14P3
Molecular Weight	663.122 g/mol
LogP	-7.5
Topological Polar Surface Area	320.0 Ų
Hydrogen Bond Donors	9
Hydrogen Bond Acceptors	19
Rotatable Bonds	17
Exact Mass	663.122
Monoisotopic Mass	663.122
Heavy Atoms	42
Complexity	1040.0

Chemical Identifiers

CAS Number	6342-15-0
SMILES	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NCC(=O)NCCCCCCN
InChIKey	WAQGDCOWYBRSPB-XKLVTHTNSA-N