1.0 2016-09-30 22:55:26 UTC 2020-04-22 15:11:01 UTC BMDB0002453 BMDB02453 4-Deoxythreonic acid 4-Deoxythreonate (+/-)-erythro-2,3-dihydroxybutyrate (+/-)-erythro-2,3-dihydroxybutyric acid (2R,3S)-Rel-2,3-dihydroxy--butanoate (2R,3S)-Rel-2,3-dihydroxy--butanoic acid (R*,s*)-2,3-dihydroxybutanoate (R*,s*)-2,3-dihydroxybutanoic acid 2,3-threo-Dihydroxybutyrate 2,3-threo-Dihydroxybutyric acid 4-Deoxy-threonate 4-Deoxy-threonic acid erythro-2,3-Dihydroxybutyrate erythro-2,3-Dihydroxybutyric acid C4H8O4 120.1039 120.042258744 (2S,3R)-2,3-dihydroxybutanoic acid 4-deoxythreonic acid 5057-93-2 C[C@@H](O)[C@H](O)C(O)=O InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1 LOUGYXZSURQALL-GBXIJSLDSA-N belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group. Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Sugar acids and derivatives 1,2-diols Alpha hydroxy acids and derivatives Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acids Fatty acids and conjugates Hydrocarbon derivatives Monocarboxylic acids and derivatives Monosaccharides Organic oxides Secondary alcohols Short-chain hydroxy acids and derivatives 1,2-diol Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Beta-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monosaccharide Organic oxide Secondary alcohol Short-chain hydroxy acid Sugar acid Aliphatic acyclic compounds 2,3-dihydroxybutanoic acid Solid logp -1.25 ALOGPS logs 0.58 ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 3.63 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (2S,3R)-2,3-dihydroxybutanoic acid ChemAxon average_mass 120.1039 ChemAxon mono_mass 120.042258744 ChemAxon smiles C[C@@H](O)[C@H](O)C(O)=O ChemAxon formula C4H8O4 ChemAxon inchi InChI=1S/C4H8O4/c1-2(5)3(6)4(7)8/h2-3,5-6H,1H3,(H,7,8)/t2-,3+/m1/s1 ChemAxon inchikey LOUGYXZSURQALL-GBXIJSLDSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 24.8 ChemAxon polarizability 10.72 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::MsIr 1780 Specdb::MsIr 1781 Specdb::MsIr 1782 Specdb::NmrOneD 122478 Specdb::NmrOneD 122479 Specdb::NmrOneD 122480 Specdb::NmrOneD 122481 Specdb::NmrOneD 122482 Specdb::NmrOneD 122483 Specdb::NmrOneD 122484 Specdb::NmrOneD 122485 Specdb::NmrOneD 122486 Specdb::NmrOneD 122487 Specdb::NmrOneD 122488 Specdb::NmrOneD 122489 Specdb::NmrOneD 122490 Specdb::NmrOneD 122491 Specdb::NmrOneD 122492 Specdb::NmrOneD 122493 Specdb::NmrOneD 122494 Specdb::NmrOneD 122495 Specdb::NmrOneD 122496 Specdb::NmrOneD 122497 Specdb::MsMs 80964 Specdb::MsMs 80965 Specdb::MsMs 80966 Specdb::MsMs 141960 Specdb::MsMs 141961 Specdb::MsMs 141962 Specdb::MsMs 2308677 Specdb::MsMs 2308678 Specdb::MsMs 2308679 Specdb::MsMs 2654285 Specdb::MsMs 2654286 Specdb::MsMs 2654287 Specdb::CMs 16077 Specdb::CMs 38423 Specdb::CMs 153308 FDB023007 9139682 C00052154 10964471 86391 6686 Sakai, Takashi; Nakamura, Toshiki; Fukuda, Katsuyoshi; Amano, Eiichiro; Utaka, Masanori; Takeda, Akira. Highly enantioselective reduction of ethyl 2-acyloxy-3-oxobutanoate with immobilized bakers' yeast. Bulletin of the Chemical Society of Japan (1986), 59(10), 3185-8.