{"ymdb_id":"YMDB01406","created_at":"2011-07-25T20:33:52.000Z","updated_at":"2016-09-08T18:36:38.000Z","name":"diethyl tartrate","cas":"87-91-2","state":"Liquid","melting_point":"17 oC","description":"Diethyl tartate is a volatile ester found in wine and produced during fermentation. It is formed by the reaction of ethanol with tartaric acid.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"-0.29 [HANSCH,C ET AL. (1995)]","location":"extracellular","synthesis_reference":null,"chebi_id":"50562","hmdb_id":null,"kegg_id":null,"pubchem_id":"24197","cs_id":"13871489","foodb_id":null,"wikipedia_link":"diethyl_tartrate","biocyc_id":null,"iupac":"1,4-diethyl 2,3-dihydroxybutanedioate","traditional_iupac":"diethyl tartrate","logp":"-0.8233958673333333","pka":"12.61208687388243","alogps_solubility":"1.50e+02 g/l","alogps_logp":"-0.57","alogps_logs":"-0.14","acceptor_count":"4","donor_count":"2","rotatable_bond_count":"7","polar_surface_area":"93.06","refractivity":"45.2488","polarizability":"19.82590493124443","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-4.334902326969982","pka_strongest_acidic":"11.187076252689968","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["(+)-Diethyl L-tartrate","Butanedioic acid, 2,3-dihydroxy-, diethyl ester","Diethyl (+)-tartrate","Diethyl (2R,3R)-(+)-tartrate","Diethyl (2R,3R)-tartrate","Diethyl (R,R)(+)tartrate","Diethyl 1,2-dihydroxy-1, 2-ethanedicarboxylate","Diethyl 1,2-dihydroxy-1,2-ethanedicarboxylate","Diethyl 2,3-dihydroxysuccinate","Diethyl L-tartrate","diethyl tartarate","Ethyl (+)-tartrate","Ethyl tartarate","Ethyl tartrate","L-(+)-(Diethyl tartrate)","L-(+)-Tartaric acid diethyl ester","Tartaric acid, diethyl ester","Tartaric acid, diethyl ester, (R,R)-","tartrates"],"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":[]}