1.0 2010-04-08 22:13:08 UTC 2018-05-29 01:32:09 UTC FDB017511 Plantaricin BN Production by Lactobacillus plantarum BN 1,1,4,4-Cyclododecanetetrapropanoic acid, 2,3-dioxo- 2,3-dioxo-1,1,4,4-Cyclododecanetetrapropanoic acid C24H36O10 484.5366 484.230847372 3-[1,4,4-tris(2-carboxyethyl)-2,3-dioxocyclododecyl]propanoic acid 3-[1,4,4-tris(2-carboxyethyl)-2,3-dioxocyclododecyl]propanoic acid 144377-77-5 OC(=O)CCC1(CCC(O)=O)CCCCCCCCC(CCC(O)=O)(CCC(O)=O)C(=O)C1=O InChI=1S/C24H36O10/c25-17(26)7-13-23(14-8-18(27)28)11-5-3-1-2-4-6-12-24(15-9-19(29)30,16-10-20(31)32)22(34)21(23)33/h1-16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32) ZPAOCLAKRURAOZ-UHFFFAOYSA-N belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups. Tetracarboxylic acids and derivatives Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Tetracarboxylic acids and derivatives Aliphatic homomonocyclic compounds Carbocyclic fatty acids Carboxylic acids Cyclic ketones Hydrocarbon derivatives Organic oxides Aliphatic homomonocyclic compound Carbocyclic fatty acid Carbonyl group Carboxylic acid Cyclic ketone Fatty acyl Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Tetracarboxylic acid or derivatives logp 0.09 ALOGPS logs -3.58 ALOGPS solubility 1.26e-01 g/l ALOGPS logp 4.47 ChemAxon pka_strongest_acidic 3.82 ChemAxon pka_strongest_basic -8.9 ChemAxon iupac 3-[1,4,4-tris(2-carboxyethyl)-2,3-dioxocyclododecyl]propanoic acid ChemAxon average_mass 484.5366 ChemAxon mono_mass 484.230847372 ChemAxon smiles OC(=O)CCC1(CCC(O)=O)CCCCCCCCC(CCC(O)=O)(CCC(O)=O)C(=O)C1=O ChemAxon formula C24H36O10 ChemAxon inchi InChI=1S/C24H36O10/c25-17(26)7-13-23(14-8-18(27)28)11-5-3-1-2-4-6-12-24(15-9-19(29)30,16-10-20(31)32)22(34)21(23)33/h1-16H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32) ChemAxon inchikey ZPAOCLAKRURAOZ-UHFFFAOYSA-N ChemAxon polar_surface_area 183.34 ChemAxon refractivity 118.22 ChemAxon polarizability 49.63 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 10 ChemAxon donor_count 4 ChemAxon physiological_charge -4 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19539 Specdb::CMs 45737 Specdb::CMs 154958 Specdb::MsMs 107214 Specdb::MsMs 107215 Specdb::MsMs 107216 Specdb::MsMs 174135 Specdb::MsMs 174136 Specdb::MsMs 174137 Specdb::MsMs 2704478 Specdb::MsMs 2704479 Specdb::MsMs 2704480 Specdb::MsMs 3004104 Specdb::MsMs 3004105 Specdb::MsMs 3004106 HMDB38238 #<Reference:0x000055ce32c48dc0>