{"ymdb_id":"YMDB02312","created_at":"2012-06-08T21:51:10.000Z","updated_at":"2016-09-08T18:37:49.000Z","name":"1,3-propanediol","cas":"504-63-2","state":"Liquid","melting_point":"-26.7 oC","description":"1,3-Propanediol is the organic compound with the formula CH2(CH2OH)2. This three-carbon diol is a colorless viscous liquid that is miscible with water.","experimental_water_solubility":null,"experimental_logp_hydrophobicity":"-1.04 [HANSCH,C ET AL. (1995)]","location":null,"synthesis_reference":null,"chebi_id":"16109","hmdb_id":null,"kegg_id":"C02457","pubchem_id":"10442","cs_id":null,"foodb_id":null,"wikipedia_link":null,"biocyc_id":null,"iupac":"propane-1,3-diol","traditional_iupac":"propanediol","logp":"-1.1487193416666668","pka":"16.301568215730207","alogps_solubility":"8.59e+02 g/l","alogps_logp":"-1.18","alogps_logs":"1.05","acceptor_count":"2","donor_count":"2","rotatable_bond_count":"2","polar_surface_area":"40.46","refractivity":"19.418999999999997","polarizability":"8.154905089871434","formal_charge":"0","physiological_charge":"0","pka_strongest_basic":"-2.4050519886982684","pka_strongest_acidic":"15.599171219017617","bioavailability":"1","number_of_rings":"0","rule_of_five":"1","ghose_filter":"0","veber_rule":"0","mddr_like_rule":"0","synonyms":["1,3-Dihydroxypropane","1,3-Propylene glycol","1,3-Propylenediol","2-(Hydroxymethyl)ethanol","2-Deoxyglycerol","beta-Propylene glycol","omega-propanediol","Propane-1,3-diol","Trimethylene glycol"],"pathways":[],"growth_conditions":[],"references":[{"pubmed_id":17439666,"citation":"Castrillo, J. I., Zeef, L. A., Hoyle, D. C., Zhang, N., Hayes, A., Gardner, D. C., Cornell, M. J., Petty, J., Hakes, L., Wardleworth, L., Rash, B., Brown, M., Dunn, W. B., Broadhurst, D., O'Donoghue, K., Hester, S. S., Dunkley, T. P., Hart, S. R., Swainston, N., Li, P., Gaskell, S. J., Paton, N. W., Lilley, K. S., Kell, D. B., Oliver, S. G. (2007). \"Growth control of the eukaryote cell: a systems biology study in yeast.\" J Biol 6:4."}],"proteins":[]}