1.0 2016-10-03 18:12:48 UTC 2020-04-22 15:42:40 UTC BMDB0010737 BMDB10737 (R)-3-Hydroxy-Octadecanoic acid (R)-3-Hydroxy-octadecanoate 3R-Hydroxy-octadecanoate C18H36O3 300.4766 300.266445018 (3R)-3-hydroxyoctadecanoic acid (3R)-3-hydroxyoctadecanoic acid [H][C@@](O)(CCCCCCCCCCCCCCC)CC(O)=O InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1 POMQYTSPMKEQNB-QGZVFWFLSA-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. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Long-chain fatty acids Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Long-chain fatty acid Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds Other Octadecanoids Solid logp 6.83 ALOGPS logs -5.30 ALOGPS logp 5.91 ChemAxon pka_strongest_acidic 4.67 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac (3R)-3-hydroxyoctadecanoic acid ChemAxon average_mass 300.4766 ChemAxon mono_mass 300.266445018 ChemAxon smiles [H][C@@](O)(CCCCCCCCCCCCCCC)CC(O)=O ChemAxon formula C18H36O3 ChemAxon inchi InChI=1S/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(19)16-18(20)21/h17,19H,2-16H2,1H3,(H,20,21)/t17-/m1/s1 ChemAxon inchikey POMQYTSPMKEQNB-QGZVFWFLSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 87.8 ChemAxon polarizability 39.38 ChemAxon rotatable_bond_count 16 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 0 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 26282 Specdb::CMs 39544 Specdb::CMs 133033 Specdb::CMs 140767 Specdb::MsMs 324229 Specdb::MsMs 324230 Specdb::MsMs 324231 Specdb::MsMs 372589 Specdb::MsMs 372590 Specdb::MsMs 372591 Specdb::MsMs 3061688 Specdb::MsMs 3061689 Specdb::MsMs 3061690 Specdb::MsMs 3109410 Specdb::MsMs 3109411 Specdb::MsMs 3109412 4472263 5312838 FDB027884