2.0 2015-09-08 17:49:51 -0600 2015-09-08 17:49:51 -0600 ECMDB24171 M2MDB006288 D-Glucaric acid D-Glucarate C6H10O8 210.1388 210.037567296 (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid mucin OC(C(O)C(O)C(O)=O)C(O)C(O)=O InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14) DSLZVSRJTYRBFB-UHFFFAOYSA-N logp -1.77 ALOGPS logs -0.52 ALOGPS solubility 6.31e+01 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 2.83 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac (2R,3S,4R,5S)-2,3,4,5-tetrahydroxyhexanedioic acid ChemAxon average_mass 210.1388 ChemAxon mono_mass 210.037567296 ChemAxon smiles OC(C(O)C(O)C(O)=O)C(O)C(O)=O ChemAxon formula C6H10O8 ChemAxon inchi InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14) ChemAxon inchikey DSLZVSRJTYRBFB-UHFFFAOYSA-N ChemAxon polar_surface_area 155.52 ChemAxon refractivity 38.14 ChemAxon polarizability 16.99 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 8 ChemAxon donor_count 6 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 1748 Specdb::CMs 19529 Specdb::CMs 31180 Specdb::CMs 37667 Specdb::CMs 134454 Specdb::CMs 142188 Specdb::CMs 146721 Specdb::CMs 146723 Specdb::CMs 146725 Specdb::CMs 279534 Specdb::CMs 1070881 Specdb::CMs 1070883 Specdb::CMs 1070885 Specdb::CMs 1070887 Specdb::CMs 1070889 Specdb::CMs 1070890 Specdb::CMs 1070892 Specdb::CMs 1070894 Specdb::CMs 1070896 Specdb::CMs 1070898 Specdb::CMs 1070899 Specdb::CMs 1070901 Specdb::CMs 1070903 Specdb::CMs 1070905 Specdb::CMs 1070907 Specdb::NmrOneD 1450 Specdb::MsMs 873 Specdb::MsMs 874 Specdb::MsMs 875 Specdb::MsMs 4274 Specdb::MsMs 4275 Specdb::MsMs 4276 Specdb::MsMs 4277 Specdb::MsMs 4278 Specdb::MsMs 4279 Specdb::MsMs 309442 Specdb::MsMs 309443 Specdb::MsMs 309444 Specdb::MsMs 353866 Specdb::MsMs 353867 Specdb::MsMs 353868 Specdb::MsMs 438146 Specdb::MsMs 438147 Specdb::MsMs 438148 Specdb::MsMs 438149 Specdb::MsMs 438150 Specdb::MsMs 439259 Specdb::MsMs 2248471 Specdb::MsMs 2249892 Specdb::MsMs 2250475 Specdb::MsMs 2251928 Specdb::NmrTwoD 1395