Linear-benzoadenosine diphosphate

[(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Also Known As: Lin-benzo-ADP|Linear-benzoadenosine diphosphate|[(2R,3S,4R,5R)-5-(8-aminoimidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate|((2R,3S,4R,5R)-5-(8-Amino-3H-imidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate|3-{5-o-[hydroxy(phosphonooxy)phosphoryl]-|A-d-ribofuranosyl}-3h-imidazo[4,5-g]quinazolin-8-amine|((2R,3S,4R,5R)-5-(8-Amino-3H-imidazo[4,5-g]quinazolin-3-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyltrihydrogendiphosphate|3-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-beta-D-ribofuranosyl}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-imine|3-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-EC-D-ribofuranosyl}-3H-im idazo[4,5-g]quinazolin-8-amine|3-{5-O-[Hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-imine|3H-Imidazo(4,5-g)quinazolin-8-amine, 3-(5-O-(hydroxy(phosphonooxy)phosphinyl)-beta-D-ribofuranosyl)-

Molecular Formula	C14H17N5O10P2
Molecular Weight	477.04507 g/mol
LogP	-3.6
Topological Polar Surface Area	233.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	6
Exact Mass	477.04507
Monoisotopic Mass	477.04507
Heavy Atoms	31
Complexity	759.0

Chemical Identifiers

CAS Number	6310-74-3
SMILES	C1=C2C(=CC3=C1N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)COP(=O)(O)OP(=O)(O)O)O)O)N=CN=C2N
InChIKey	QMGBJUQQYZORLL-HKUMRIAESA-N