1.0 2016-09-30 22:29:55 UTC 2020-04-22 15:03:21 UTC BMDB0000394 BMDB00394 3-Hydroxytetradecanedioic acid 3-Hydroxytetradecanedioate 3-Hydroxy-tetradecanedioate C14H26O5 274.3532 274.178023942 3-hydroxytetradecanedioic acid 3-hydroxytetradecanedioic acid 73179-89-2 OC(CCCCCCCCCCC(O)=O)CC(O)=O InChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19) CEDZIURHISELSQ-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. 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 Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxy fatty acids Organic oxides Secondary alcohols Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Dicarboxylic acid or derivatives Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Long-chain fatty acid Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Aliphatic acyclic compounds Dicarboxylic acids Solid logp 2.03 ALOGPS logs -2.97 ALOGPS logp 2.82 ChemAxon pka_strongest_acidic 4.49 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxytetradecanedioic acid ChemAxon average_mass 274.3532 ChemAxon mono_mass 274.178023942 ChemAxon smiles OC(CCCCCCCCCCC(O)=O)CC(O)=O ChemAxon formula C14H26O5 ChemAxon inchi InChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19) ChemAxon inchikey CEDZIURHISELSQ-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 71.06 ChemAxon polarizability 31.84 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon number_of_rings 0 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsMs 97617 Specdb::MsMs 97618 Specdb::MsMs 97619 Specdb::MsMs 162375 Specdb::MsMs 162376 Specdb::MsMs 162377 Specdb::MsMs 2662054 Specdb::MsMs 2662055 Specdb::MsMs 2662056 Specdb::MsMs 3020220 Specdb::MsMs 3020221 Specdb::MsMs 3020222 Specdb::NmrTwoD 1296 Specdb::NmrOneD 1354 Specdb::NmrOneD 166614 Specdb::CMs 15797 Specdb::CMs 37494 Specdb::CMs 171484 Specdb::CMs 1060343 Specdb::CMs 1060345 Specdb::CMs 1060347 Specdb::CMs 1060349 Specdb::CMs 1060350 Specdb::CMs 1060352 Specdb::CMs 1060354 Specdb::CMs 1060356 Specdb::CMs 1060358 Specdb::CMs 1060360 Specdb::CMs 1060362 Specdb::CMs 1060364 Specdb::CMs 1060366 FDB022012 20848956 13628077 5383 Hill, Frank Friedrich. Manufacture of 3-hydroxydicarboxylic acids. Ger. Offen. (1986), 14 pp.