{"ymdb_id":"YMDB01407","created_at":"2011-07-25T20:33:59.000Z","updated_at":"2016-09-08T18:36:38.000Z","name":"2,3-butanediol","cas":"3483-12-3","state":"Solid","melting_point":"25 oC","description":"2,3-butanediol is a by product of butanediol fermentation of glucose.[Wikipedia]\n","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"-0.92 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":"18320","hmdb_id":"HMDB03156","kegg_id":"C00265","pubchem_id":"262","cs_id":"21106093","foodb_id":null,"wikipedia_link":"","biocyc_id":"CPD-346","iupac":"butane-2,3-diol","traditional_iupac":"2,3-butanediol","logp":"-0.37552903133333315","pka":"15.678062098346835","alogps_solubility":"6.03e+02 g/l","alogps_logp":"-0.59","alogps_logs":"0.83","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"1","polar_surface_area":"40.46","refractivity":"23.3912","polarizability":"9.86836471486291","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.006341228739074","pka_strongest_acidic":"14.224481598439645","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(2S,3S)-(+)-2,3-Butanediol","(R*,R*)-1,4-dimercapto-2,3-butanediol","1, 3-butanediol","1,4-Dithiothreitol","2,3-Butandiol","2,3-Butanediol, [S-(R*,R*)]-","2,3-butanodiol","2,3-Butylene glycol","2,3-Dihydroxybutane","4-dimercapto-2","4-dithiothreitol","Butane-2,3-diol","Cleland's reagent","D-2,3-Butane diol","Dimethylethylene glycol","Dithiothreitol","Dithiotreitol","DL-threo-1,4-Dimercapto-2,3-butanediol","rac-Dithiothreitol","threo-1,4-Dimercapto-2,3-butanediol"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":12236692,"citation":"Patel, S., Shibamoto, T. (2002). \"Effect of different strains of Saccharomyces cerevisiae on production of volatiles in Napa Gamay wine and Petite Sirah wine.\" J Agric Food Chem 50:5649-5653."}],"proteins":[]}