azidonitrophenylaminobutyryl-ADP

[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-(4-azido-2-nitroanilino)butanoate

Also Known As: Azidonitrophenylaminobutyryl-ADP|Azidonitrophenylaminobutyryl-adenosine diphosphate|[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]oxolan-3-yl] 4-(4-azido-2-nitroanilino)butanoate|Adenosine 5'-(trihydrogen diphosphate), 2'-(4-((4-azido-2-nitrophenyl)amino)butanoate)|2'-O-[4-(4-Azido-2-nitroanilino)butanoyl]adenosine 5'-(trihydrogen diphosphate)

Molecular Formula	C20H24N10O13P2
Molecular Weight	674.1 g/mol
LogP	1.5472
Topological Polar Surface Area	342.6 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	16
Rotatable Bonds	14
Exact Mass	674.1
Monoisotopic Mass	674.1
Heavy Atoms	45
Complexity	1728.3138

Chemical Identifiers

CAS Number	76833-32-4
SMILES	C1=CC(=C(C=C1N=[N+]=[N-])[N+](=O)[O-])NCCCC(=O)O[C@@H]2[C@@H]([C@H](O[C@H]2N3C=NC4=C(N=CN=C43)N)COP(=O)(O)OP(=O)(O)O)O