1.0 2016-10-03 18:34:50 UTC 2020-04-22 15:49:15 UTC BMDB0012243 BMDB12243 Kinetin-7-N-glucoside C16H19N5O6 377.352 377.133533365 (2S,3R,4S,5S,6R)-2-{6-[(furan-2-ylmethyl)amino]-7H-purin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol (2S,3R,4S,5S,6R)-2-{6-[(furan-2-ylmethyl)amino]purin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1C(NCC1=CC=CO1)=NC=N2 InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16+/m1/s1 AXJIOWGMASZFOU-HMXKMONRSA-N belongs to the class of organic compounds known as glycosylamines. Glycosylamines are compounds consisting of an amine with a beta-N-glycosidic bond to a carbohydrate, thus forming a cyclic hemiaminal ether bond (alpha-amino ether). Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Glycosylamines 6-alkylaminopurines Aminopyrimidines and derivatives Azacyclic compounds Furans Heteroaromatic compounds Hexoses Hydrocarbon derivatives Imidolactams N-substituted imidazoles Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary alkylarylamines 6-alkylaminopurine 6-aminopurine Alcohol Amine Aminopyrimidine Aromatic heteropolycyclic compound Azacycle Azole Furan Heteroaromatic compound Hexose monosaccharide Hydrocarbon derivative Imidazole Imidazopyrimidine Imidolactam Monosaccharide N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Purine Pyrimidine Secondary alcohol Secondary aliphatic/aromatic amine Secondary amine Aromatic heteropolycyclic compounds Solid logp -0.32 ALOGPS logs -2.22 ALOGPS logp -1.7 ChemAxon pka_strongest_acidic 12.36 ChemAxon pka_strongest_basic 5.09 ChemAxon iupac (2S,3R,4S,5S,6R)-2-{6-[(furan-2-ylmethyl)amino]-7H-purin-7-yl}-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 377.352 ChemAxon mono_mass 377.133533365 ChemAxon smiles OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N1C=NC2=C1C(NCC1=CC=CO1)=NC=N2 ChemAxon formula C16H19N5O6 ChemAxon inchi InChI=1S/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)/t9-,11-,12+,13-,16+/m1/s1 ChemAxon inchikey AXJIOWGMASZFOU-HMXKMONRSA-N ChemAxon polar_surface_area 158.92 ChemAxon refractivity 93.28 ChemAxon polarizability 35.87 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 9 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 4 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 10653 Specdb::CMs 39881 Specdb::MsMs 289480 Specdb::MsMs 289481 Specdb::MsMs 289482 Specdb::MsMs 328903 Specdb::MsMs 328904 Specdb::MsMs 328905 FDB028885 25202817 CPD-4610