1.0 2016-10-03 18:34:16 UTC 2020-04-22 15:49:04 UTC BMDB0012213 BMDB12213 Dihydrozeatin-9-N-glucoside 4-[(9-beta-D-Glucopyranosyl-9H-purin-6-yl)amino]-2-methyl-1-butanol 4-[(9-Β-D-glucopyranosyl-9H-purin-6-yl)amino]-2-methyl-1-butanol 9-beta-D-Glucopyranosyldihydrozeatin 9-Β-D-glucopyranosyldihydrozeatin Dihydrozeatin 9-N-glucoside Dihydrozeatin 9-glucose Dihydrozeatin-9-beta-D-glucoside Dihydrozeatin-9-glucoside Dihydrozeatin-9-β-D-glucoside C16H25N5O6 383.405 383.180483545 (2R,3R,4S,5S,6R)-2-(6-{[(3S)-4-hydroxy-3-methylbutyl]amino}-9H-purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol (2R,3R,4S,5S,6R)-2-(6-{[(3S)-4-hydroxy-3-methylbutyl]amino}purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol 73263-99-7 C[C@H](CO)CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O InChI=1S/C16H25N5O6/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/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8-,9+,11+,12-,13+,16+/m0/s1 DRPMMLWYLAPTPK-CBGBLGFFSA-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 -0.72 ALOGPS logs -1.77 ALOGPS logp -2.2 ChemAxon pka_strongest_acidic 12.36 ChemAxon pka_strongest_basic 3.74 ChemAxon iupac (2R,3R,4S,5S,6R)-2-(6-{[(3S)-4-hydroxy-3-methylbutyl]amino}-9H-purin-9-yl)-6-(hydroxymethyl)oxane-3,4,5-triol ChemAxon average_mass 383.405 ChemAxon mono_mass 383.180483545 ChemAxon smiles C[C@H](CO)CCNC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O ChemAxon formula C16H25N5O6 ChemAxon inchi InChI=1S/C16H25N5O6/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/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)/t8-,9+,11+,12-,13+,16+/m0/s1 ChemAxon inchikey DRPMMLWYLAPTPK-CBGBLGFFSA-N ChemAxon polar_surface_area 166.01 ChemAxon refractivity 94.93 ChemAxon polarizability 38.15 ChemAxon rotatable_bond_count 7 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 FDB028858 156907999 CPD-4616