25679 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 66 8 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 3 3 -1 5 -1 6 -1 2 2 3 4 5 6 7 8 9 9 9 10 10 10 11 11 11 9 19 12 12 13 14 13 14 10 11 12 13 17 18 14 15 16 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 4.6282 7.7198 5.41 7.0084 4.6282 3.7272 5.1875 2 6.8188 6.3849 7.7198 6.3849 5.41 2.901 7.9412 8.1761 6.9894 6.3849 7.7661 -0.7078 0.2261 -1.3313 -1.8906 0.2922 -1.1417 1.8906 -1.0123 -0.2078 0.6932 -0.6417 -1.1088 0.9157 -0.5784 -1.2208 -0.222 0.8311 1.3132 0.8443 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 211 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 1 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 0000037180603800000000000000000000080000000000000000000000000000000000000000001A00000800000C44808000000800000200080000900802000000000000000001400000010016000000004000052000010000CB26000A00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 dysprosium(3+);citrate IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 dysprosium(3+);2-oxidanylpropane-1,2,3-tricarboxylate IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 dysprosium(3+);citrate InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/C6H8O7.Dy/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+3/p-3 InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 JBDQKRUYXNZPKH-UHFFFAOYSA-K Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 352.932702 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C6H5DyO7 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 351.5997 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Dy+3] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Dy+3] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 141 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 352.932702 14 0 0 0 0 0 0 0 2 1