1.0 2019-10-15 19:48:34 UTC 2019-10-15 19:48:34 UTC FDB093590 2-amino-1,6-dimethylimidazo[4,5-b]Pyridine glucuronide C19H20N4O6 400.391 400.13828438 (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-({1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl}amino)oxane-2-carboxylic acid (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-({1-methyl-6-phenylimidazo[4,5-b]pyridin-2-yl}amino)oxane-2-carboxylic acid [H][C@@]1(NC2=NC3=C(C=C(C=N3)C3=CC=CC=C3)N2C)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O InChI=1S/C19H20N4O6/c1-23-11-7-10(9-5-3-2-4-6-9)8-20-16(11)21-19(23)22-17-14(26)12(24)13(25)15(29-17)18(27)28/h2-8,12-15,17,24-26H,1H3,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,17+/m0/s1 SQVPGYDPSLNFET-KSXIZUIISA-N belongs to the class of organic compounds known as n-glucuronides. These are glucuronides in which the aglycone is linked to the carbohydrate unit through a N-glycosidic bond. N-glucuronides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteropolycyclic compounds Amines Aminoimidazoles Azacyclic compounds Benzene and substituted derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives Imidazopyridines Monocarboxylic acids and derivatives Monosaccharides N-substituted imidazoles Organic oxides Organopnictogen compounds Oxacyclic compounds Oxanes Phenylpyridines Polyols Pyrans Secondary alcohols 1-n-glucuronide 3-phenylpyridine Alcohol Amine Aminoimidazole Aromatic heteropolycyclic compound Azacycle Azole Benzenoid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Hydroxy acid Imidazole Imidazopyridine Monocarboxylic acid or derivatives Monocyclic benzene moiety Monosaccharide N-glucuronide N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxide Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Pyran Pyridine Secondary alcohol logp 0.60 ALOGPS logs -2.59 ALOGPS solubility 1.04e+00 g/l ALOGPS logp -0.69 ChemAxon pka_strongest_acidic 3.26 ChemAxon pka_strongest_basic 4.34 ChemAxon iupac (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-({1-methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-yl}amino)oxane-2-carboxylic acid ChemAxon average_mass 400.391 ChemAxon mono_mass 400.13828438 ChemAxon smiles [H][C@@]1(NC2=NC3=C(C=C(C=N3)C3=CC=CC=C3)N2C)O[C@]([H])(C(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O ChemAxon formula C19H20N4O6 ChemAxon inchi InChI=1S/C19H20N4O6/c1-23-11-7-10(9-5-3-2-4-6-9)8-20-16(11)21-19(23)22-17-14(26)12(24)13(25)15(29-17)18(27)28/h2-8,12-15,17,24-26H,1H3,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,17+/m0/s1 ChemAxon inchikey SQVPGYDPSLNFET-KSXIZUIISA-N ChemAxon polar_surface_area 149.96 ChemAxon refractivity 101.61 ChemAxon polarizability 40.97 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon FOBI:030670