1.0 2010-04-08 22:05:34 UTC 2019-11-26 02:58:07 UTC FDB002904 9,10,13-Trihydroxystearic acid Constituent of Phaseolus vulgaris (kidney bean) roots. 9,10,13-Trihydroxystearic acid is found in yellow wax bean and green bean. 9,10,13-Trihydroxystearic acid C18H36O5 332.4754 332.256274262 9,10,13-trihydroxyoctadecanoic acid 9,10,13-trihydroxyoctadecanoic acid 50439-74-2 CCCCCC(O)CCC(O)C(O)CCCCCCCC(O)=O InChI=1S/C18H36O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h15-17,19-21H,2-14H2,1H3,(H,22,23) CDWBHGXGXFTKRD-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Long-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Polyols Secondary alcohols Alcohol Aliphatic acyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Polyol Secondary alcohol logp 3.72 ALOGPS logs -3.16 ALOGPS solubility 2.31e-01 g/l ALOGPS melting_point Mp 135-137° logp 3.3 ChemAxon pka_strongest_acidic 4.62 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac 9,10,13-trihydroxyoctadecanoic acid ChemAxon average_mass 332.4754 ChemAxon mono_mass 332.256274262 ChemAxon smiles CCCCCC(O)CCC(O)C(O)CCCCCCCC(O)=O ChemAxon formula C18H36O5 ChemAxon inchi InChI=1S/C18H36O5/c1-2-3-7-10-15(19)13-14-17(21)16(20)11-8-5-4-6-9-12-18(22)23/h15-17,19-21H,2-14H2,1H3,(H,22,23) ChemAxon inchikey CDWBHGXGXFTKRD-UHFFFAOYSA-N ChemAxon polar_surface_area 97.99 ChemAxon refractivity 90.99 ChemAxon polarizability 40.68 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 5 ChemAxon donor_count 4 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 12545 Specdb::MsMs 12546 Specdb::MsMs 12547 Specdb::MsMs 19217 Specdb::MsMs 19218 Specdb::MsMs 19219 Specdb::MsMs 2309526 Specdb::MsMs 2309527 Specdb::MsMs 2309528 Specdb::MsMs 2656591 Specdb::MsMs 2656592 Specdb::MsMs 2656593 Specdb::CMs 13300 Specdb::CMs 42258 Specdb::CMs 137423 Specdb::CMs 145157 HMDB30935 #<Reference:0x000055ac40c59d00> Green bean Type 1 specific Phaseolus vulgaris 3885 Yellow wax bean Type 1 specific Phaseolus vulgaris 3885