1.0 2016-09-30 22:28:51 UTC 2020-04-22 15:03:01 UTC BMDB0000337 BMDB00337 (S)-3,4-Dihydroxybutyric acid (S)-3,4-Dihydroxybutyrate (S)-3,4-Dihydroxy-butyric acid (S)-3,4-Dihydroxybutanoate (S)-3,4-Dihydroxybutanoic acid 2-Deoxytetronate 2-Deoxytetronic acid 3,4-Dihydroxybutanoate 3,4-Dihydroxybutanoic acid 3,4-Dihydroxybutanoic acid, (S)-isomer 3,4-Dihydroxybutanoic acid, monosodium salt C4H8O4 120.1039 120.042258744 3,4-dihydroxybutanoic acid 3,4-dihydroxybutanoic acid 1518-61-2 OCC(O)CC(O)=O InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8) DZAIOXUZHHTJKN-UHFFFAOYSA-N belongs to the class of organic compounds known as beta hydroxy acids and derivatives. Beta hydroxy acids and derivatives are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom. Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Beta hydroxy acids and derivatives Beta hydroxy acids and derivatives 1,2-diols Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols Short-chain hydroxy acids and derivatives 1,2-diol Alcohol Aliphatic acyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Short-chain hydroxy acid Aliphatic acyclic compounds omega-hydroxy fatty acid Solid logp -1.54 ALOGPS logs 0.84 ALOGPS logp -1.4 ChemAxon pka_strongest_acidic 4.09 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 3,4-dihydroxybutanoic acid ChemAxon average_mass 120.1039 ChemAxon mono_mass 120.042258744 ChemAxon smiles OCC(O)CC(O)=O ChemAxon formula C4H8O4 ChemAxon inchi InChI=1S/C4H8O4/c5-2-3(6)1-4(7)8/h3,5-6H,1-2H2,(H,7,8) ChemAxon inchikey DZAIOXUZHHTJKN-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 25.01 ChemAxon polarizability 10.91 ChemAxon rotatable_bond_count 3 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::MsIr 424 Specdb::MsIr 425 Specdb::MsIr 426 Specdb::CMs 20951 Specdb::CMs 32302 Specdb::CMs 37442 Specdb::CMs 99565 Specdb::CMs 154859 Specdb::CMs 1058871 Specdb::CMs 1058872 Specdb::CMs 1058874 Specdb::CMs 1058876 Specdb::CMs 1058878 Specdb::CMs 1058879 Specdb::CMs 1058881 Specdb::CMs 1058883 Specdb::CMs 1058885 Specdb::CMs 1058887 Specdb::CMs 1058888 Specdb::CMs 1058890 Specdb::CMs 1058892 Specdb::MsMs 7949 Specdb::MsMs 7950 Specdb::MsMs 7951 Specdb::MsMs 14621 Specdb::MsMs 14622 Specdb::MsMs 14623 Specdb::MsMs 2294391 Specdb::MsMs 2294392 Specdb::MsMs 2294393 Specdb::MsMs 2641441 Specdb::MsMs 2641442 Specdb::MsMs 2641443 Specdb::NmrOneD 143530 Specdb::NmrOneD 143531 Specdb::NmrOneD 143532 Specdb::NmrOneD 143533 Specdb::NmrOneD 143534 Specdb::NmrOneD 143535 Specdb::NmrOneD 143536 Specdb::NmrOneD 143537 Specdb::NmrOneD 143538 Specdb::NmrOneD 143539 Specdb::NmrOneD 143540 Specdb::NmrOneD 143541 Specdb::NmrOneD 143542 Specdb::NmrOneD 143543 Specdb::NmrOneD 143544 Specdb::NmrOneD 143545 Specdb::NmrOneD 143546 Specdb::NmrOneD 143547 Specdb::NmrOneD 143548 Specdb::NmrOneD 143549 FDB021961 150929 133026 86371 C00052139 Cho, Yik-haeng; Chun, Jongpil; Park, Youngmi; Roh, Kyoungrok; Yu, Hosung; Hwang, Daeil. Process for preparing optically pure (S)-3,4-dihydroxybutyric acid derivatives. PCT Int. Appl. (2000), 29 pp.