Diadenosine pyrophosphate

[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate

Also Known As: Diadenosine diphosphate|Diadenosine pyrophosphate|APPA|Diadenosine-5',5'-pyrophosphate|amino-propylphosphinic acid|GTPL1065|KST-1A2103|P(1),P(2)-Diadenosine-5'-pyrophosphate|P(1),P(2)-Di(adenosine 5'-)diphosphate|[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate|[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl(2r,3s,4r,5s)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl dihydrogen diphosphate(non-preferred name)|[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]({[(2R,3S,4R,5S)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy})phosphinic acid|bis[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]phosphonophosphate

Molecular Formula	C20H26N10O13P2
Molecular Weight	676.1156 g/mol
LogP	-6.1
Topological Polar Surface Area	341.0 Ų
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	21
Rotatable Bonds	10
Exact Mass	676.1156
Monoisotopic Mass	676.1156
Heavy Atoms	45
Complexity	1150.0

Chemical Identifiers

CAS Number	17877-23-5
SMILES	C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O[C@@H]4[C@H](O[C@@H]([C@@H]4O)N5C=NC6=C(N=CN=C65)N)CO)O)O)N
InChIKey	FHISWBUCBBVWGG-SNESVTBZSA-N