3806114 1 2 3 4 5 6 7 8 9 10 11 12 13 14 8 8 8 8 8 8 6 6 6 6 1 1 1 1 3 -1 4 -1 1 1 2 2 3 4 5 6 7 7 7 8 8 7 13 8 14 9 10 9 10 8 9 11 10 12 1 1 1 1 1 1 2 2 1 1 1 1 1 7 1 8 9 11 3 1 8 2 7 10 12 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 3.732 4.5981 2 6.3301 2.866 5.4641 3.732 4.5981 2.866 5.4641 4.269 5.135 3.1951 5.135 -1.25 1.25 -0.25 0.25 1.25 -1.25 -0.25 0.25 0.25 -0.25 -0.56 0.56 -1.56 1.56 3 3 7 8 1 2 -2 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 123 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0000037180603800000000000000000000000000000000000000000000000000000000000000001A00000800000814A080020008000002000800009008020000000000000000014000000110140000000040000520000100004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-dihydroxybutanedioate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-dihydroxybutanedioate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-dihydroxybutanedioate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-dihydroxybutanedioate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2,3-bis(oxidanyl)butanedioate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 tartrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FEWJPZIEWOKRBE-UHFFFAOYSA-L Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 -0.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 148.00078784 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H4O6-2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 148.07 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)[O-])O)(C(=O)[O-])O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)[O-])O)(C(=O)[O-])O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 121 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 148.00078784 10 2 0 2 0 0 0 0 1 -1