1.0 2016-10-03 18:33:03 UTC 2020-04-22 15:48:41 UTC BMDB0012141 BMDB12141 (R)-2,3-Dihydroxy-isovalerate (R)-2,3-Dihydroxy-isovaleric acid (2R)-2,3-Dihydroxy-3-methylbutanoate (2R)-2,3-Dihydroxy-3-methylbutanoic acid (R)-2,3-Dihydroxy-3-methylbutanoate (R)-2,3-Dihydroxy-3-methylbutanoic acid (R)-(-)-alpha,beta-Dihydroxyisovaleric acid (R)-(-)-α,β-Dihydroxyisovaleric acid (R)-2,3-Dihydroxy-isovalerate C5H10O4 134.1305 134.057908808 (2R)-2,3-dihydroxy-3-methylbutanoic acid (R)-2,3-dihydroxy-isovalerate 19451-56-0 CC(C)(O)[C@@H](O)C(O)=O InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1 JTEYKUFKXGDTEU-VKHMYHEASA-N belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Hydroxy fatty acids 1,2-diols Alpha hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methyl-branched fatty acids Monocarboxylic acids and derivatives Monosaccharides Organic oxides Secondary alcohols Short-chain hydroxy acids and derivatives Tertiary alcohols 1,2-diol Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Branched fatty acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy acid Hydroxy fatty acid Methyl-branched fatty acid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Short-chain hydroxy acid Tertiary alcohol Aliphatic acyclic compounds 2,3-dihydroxy-3-methylbutanoic acid Solid logp -0.83 ALOGPS logs 0.60 ALOGPS logp -0.82 ChemAxon pka_strongest_acidic 3.8 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (2R)-2,3-dihydroxy-3-methylbutanoic acid ChemAxon average_mass 134.1305 ChemAxon mono_mass 134.057908808 ChemAxon smiles CC(C)(O)[C@@H](O)C(O)=O ChemAxon formula C5H10O4 ChemAxon inchi InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1 ChemAxon inchikey JTEYKUFKXGDTEU-VKHMYHEASA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 29.44 ChemAxon polarizability 12.48 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 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::CMs 3242 Specdb::CMs 39827 Specdb::CMs 160651 Specdb::MsIr 2657 Specdb::MsIr 2658 Specdb::MsIr 2659 Specdb::MsMs 23120 Specdb::MsMs 23121 Specdb::MsMs 23122 Specdb::MsMs 29918 Specdb::MsMs 29919 Specdb::MsMs 29920 Specdb::MsMs 2380829 Specdb::MsMs 2380830 Specdb::MsMs 2380831 Specdb::MsMs 2558124 Specdb::MsMs 2558125 Specdb::MsMs 2558126 Specdb::NmrOneD 151250 Specdb::NmrOneD 151251 Specdb::NmrOneD 151252 Specdb::NmrOneD 151253 Specdb::NmrOneD 151254 Specdb::NmrOneD 151255 Specdb::NmrOneD 151256 Specdb::NmrOneD 151257 Specdb::NmrOneD 151258 Specdb::NmrOneD 151259 Specdb::NmrOneD 151260 Specdb::NmrOneD 151261 Specdb::NmrOneD 151262 Specdb::NmrOneD 151263 Specdb::NmrOneD 151264 Specdb::NmrOneD 151265 Specdb::NmrOneD 151266 Specdb::NmrOneD 151267 Specdb::NmrOneD 151268 Specdb::NmrOneD 151269 C04272 FDB028799 389255 15684 440279 CPD-13357