Adenosine triphosphate adenosine monophosphate adenosine monophosphate

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

Also Known As: Ppapapa|Pppa2'p5'A2'p5'A|Pppa2'-5'A2'-5'A|ppp5'A2'p5'A2'p5'A|KST-1A7474|Pppa(1)'P(5)'A(2)'P(5)'A|Adenosine triphosphate adenosine monophosphate adenosine monophosphate|[[(2R,3R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate|5'-O-triphosphoadenylyl-(2'->5')-adenylyl-(2'->5')-adenosine|Adenosine 5'-(tetrahydrogen triphosphate), adenylyl-(5'-2')-adenylyl-(5'-2')-|[(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl[(2r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphoryl]oxymethyl]tetrahydrofuran-3-yl] hydrogen phosphate

Molecular Formula	C30H40N15O25P5
Molecular Weight	1165.1008 g/mol
LogP	-10.9
Topological Polar Surface Area	589.0 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	37
Rotatable Bonds	20
Exact Mass	1165.1008
Monoisotopic Mass	1165.1008
Heavy Atoms	75
Complexity	2270.0

Chemical Identifiers

CAS Number	6797-84-8
SMILES	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OC4[C@@H]([C@H](O[C@H]4N5C=NC6=C(N=CN=C65)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)OC[C@@H]7[C@H]([C@H](C(O7)N8C=NC9=C(N=CN=C98)N)O)O)N
InChIKey	RTAGLZBJCCVJET-MFSXEPBNSA-N