{"ymdb_id":"YMDB01593","created_at":"2011-08-31T03:25:59.000Z","updated_at":"2016-09-08T18:36:52.000Z","name":"2,3-Dihydro-2,5-dihydoxy-6-methyl-4-H-pyran-4-one","cas":null,"state":null,"melting_point":null,"description":"2,3-Dihydro-2,5-dihydoxy-6-methyl-4-H-pyran-4-one is a compound responsible for vanilla-sugar aroma, often obtained from oak.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":null,"location":null,"synthesis_reference":null,"chebi_id":null,"hmdb_id":null,"kegg_id":null,"pubchem_id":null,"cs_id":"106997","foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"3,5-dihydroxy-6-methyl-3,4-dihydro-2H-pyran-4-one","traditional_iupac":"3,5-dihydroxy-2-methyl-5,6-dihydropyran-4-one","logp":"-0.8381472726666668","pka":"12.838846351953261","alogps_solubility":"3.82e+02 g/l","alogps_logp":"-1.16","alogps_logs":"0.42","acceptor_count":"4","donor_count":"2","rotatable_bond_count":"0","polar_surface_area":"66.76","refractivity":"34.836400000000005","polarizability":"13.118166506649247","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-3.8869989099811386","pka_strongest_acidic":"7.605555838864131","bioavailability":"1","number_of_rings":"1","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["2,3-dihydro-3,5-Dihydroxy-6-methyl-4H-pyran-4-one","DDMP-4-One"],"pathways":[],"growth_conditions":[],"references":[],"proteins":[]}