2.0 2012-08-09 09:16:11 -0600 2015-06-03 17:21:28 -0600 ECMDB21420 M2MDB001815 4-Deoxyerythronic acid 4-Deoxyerythronic acid is an organic acid that is also known as 2,3-dihydroxybutanoic acid. (PubChem) (+/-)-erythro-2,3-dihydroxybutyrate (+/-)-erythro-2,3-dihydroxybutyric acid (R*,R*)-2,3-dihydroxy-Butanoate (R*,R*)-2,3-dihydroxy-Butanoic acid (R*,R*)-2,3-dihydroxybutanoate (R*,R*)-2,3-dihydroxybutanoic acid (R*,S*)-2,3-dihydroxybutanoate (R*,S*)-2,3-dihydroxybutanoic acid 2,3-erythro-Dihydroxybutyrate 2,3-erythro-Dihydroxybutyric acid 4-deoxy-Erythronate 4-deoxy-Erythronic acid 4-Deoxyerythronate 4-Deoxytetronate 4-deoxytetronic acid erythro-2,3-Dihydroxybutyrate Erythro-2,3-dihydroxybutyric acid C4H8O4 120.1039 120.042258744 (2R,3R)-2,3-dihydroxybutanoic acid 4-deoxyerythronic acid 759-06-8 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-PWNYCUMCSA-N Solid logp -1.25 ALOGPS logs 0.58 ALOGPS solubility 4.54e+02 g/l ALOGPS logp -1.1 ChemAxon pka_strongest_acidic 3.63 ChemAxon pka_strongest_basic -3.1 ChemAxon iupac (2R,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-PWNYCUMCSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 24.8 ChemAxon polarizability 10.74 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24644 Specdb::CMs 37572 Specdb::CMs 136918 Specdb::CMs 144652 Specdb::CMs 1064162 Specdb::CMs 1064164 Specdb::CMs 1064166 Specdb::CMs 1064167 Specdb::CMs 1064169 Specdb::CMs 1064171 Specdb::CMs 1064173 Specdb::CMs 1064175 Specdb::CMs 1064177 Specdb::CMs 1064178 Specdb::CMs 1064180 Specdb::CMs 1064182 Specdb::CMs 1064184 Specdb::NmrOneD 274298 Specdb::NmrOneD 274299 Specdb::NmrOneD 274300 Specdb::NmrOneD 274301 Specdb::NmrOneD 274302 Specdb::NmrOneD 274303 Specdb::NmrOneD 274304 Specdb::NmrOneD 274305 Specdb::NmrOneD 274306 Specdb::NmrOneD 274307 Specdb::NmrOneD 274308 Specdb::NmrOneD 274309 Specdb::NmrOneD 274310 Specdb::NmrOneD 274311 Specdb::NmrOneD 274312 Specdb::NmrOneD 274313 Specdb::NmrOneD 274314 Specdb::NmrOneD 274315 Specdb::NmrOneD 274316 Specdb::NmrOneD 274317 Specdb::MsMs 26585 Specdb::MsMs 26586 Specdb::MsMs 26587 Specdb::MsMs 33143 Specdb::MsMs 33144 Specdb::MsMs 33145 Specdb::MsMs 2450683 Specdb::MsMs 2450684 Specdb::MsMs 2450685 Specdb::MsMs 2488785 Specdb::MsMs 2488786 Specdb::MsMs 2488787 HMDB00498 250402 17215960 van der Werf, M. J., Overkamp, K. M., Muilwijk, B., Coulier, L., Hankemeier, T. (2007). "Microbial metabolomics: toward a platform with full metabolome coverage." Anal Biochem 370:17-25. 17765195 Kassel DB, Martin M, Schall W, Sweeley CC: Urinary metabolites of L-threonine in type 1 diabetes determined by combined gas chromatography/chemical ionization mass spectrometry. Biomed Environ Mass Spectrom. 1986 Oct;13(10):535-40. 2947647 Bultitude FW, Newham SJ: Identification of some abnormal metabolites in plasma from uremic subjects. Clin Chem. 1975 Aug;21(9):1329-34. 1149237