13355 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 11 11 8 8 8 8 8 8 6 6 6 6 1 1 1 1 1 1 2 1 5 -1 6 -1 3 3 4 4 5 6 7 8 9 9 9 10 10 9 15 10 16 11 12 11 12 10 11 13 12 14 1 1 1 1 1 1 2 2 1 1 1 1 1 9 3 10 11 13 3 1 10 4 9 12 14 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 2 8.0622 4.5981 5.4641 2.866 7.1962 3.732 6.3301 4.5981 5.4641 3.732 6.3301 5.135 6.001 4.0611 6.001 0.25 -0.25 -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 9 10 3 4 0 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 0000037180603830000000000000000000000000000000000000000000000000000000000000001A00000800000814A080020008000002000800009008020000000000000000014000000110140000000040000520000100004300000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;2,3-dihydroxybutanedioate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;2,3-dihydroxybutanedioate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;2,3-dihydroxybutanedioate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;2,3-dihydroxybutanedioate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;2,3-bis(oxidanyl)butanedioate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 disodium;tartrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C4H6O6.2Na/c5-1(3(7)8)2(6)4(9)10;;/h1-2,5-6H,(H,7,8)(H,9,10);;/q;2*+1/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 HELHAJAZNSDZJO-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 193.98032641 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C4H4Na2O6 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 194.05 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C(C(C(=O)[O-])O)(C(=O)[O-])O.[Na+].[Na+] 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 2021.10.14 193.98032641 12 2 0 2 0 0 0 0 3 -1