1.0 2016-10-03 18:34:03 UTC 2020-04-22 15:49:00 UTC BMDB0012202 BMDB12202 Cis-zeatin-9-N-glucoside (Z)-Zeatin-9-N-glucoside C16H23N5O6 381.3837 381.164833493 (2R,3S,4R,5R,6S)-2-(6-{[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol (2R,3S,4R,5R,6S)-2-(6-{[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol C\C(CO)=C\CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2-/t9-,11-,12+,13-,16+/m0/s1 VYRAJOITMBSQSE-UMNZXQRGSA-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 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 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 -0.71 ALOGPS logs -1.77 ALOGPS logp -2.3 ChemAxon pka_strongest_acidic 12.36 ChemAxon pka_strongest_basic 4.85 ChemAxon iupac (2R,3S,4R,5R,6S)-2-(6-{[(2Z)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 381.3837 ChemAxon mono_mass 381.164833493 ChemAxon smiles C\C(CO)=C\CNC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O ChemAxon formula C16H23N5O6 ChemAxon inchi InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2-/t9-,11-,12+,13-,16+/m0/s1 ChemAxon inchikey VYRAJOITMBSQSE-UMNZXQRGSA-N ChemAxon polar_surface_area 166.01 ChemAxon refractivity 95.54 ChemAxon polarizability 38.35 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 24949 Specdb::CMs 39860 Specdb::MsMs 321274 Specdb::MsMs 321275 Specdb::MsMs 321276 Specdb::MsMs 368857 Specdb::MsMs 368858 Specdb::MsMs 368859 FDB028848 53481386