50932230 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 51 51 8 8 8 8 8 8 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 4 2 4 3 3 4 4 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 9 32 10 31 11 30 12 29 13 28 14 27 12 25 26 13 23 24 14 21 22 19 20 17 18 15 16 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 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 20 21 22 23 24 25 26 27 28 29 30 31 32 0 2.5 5.5369 5.5369 5.5369 8.135 8.135 8.135 6.403 6.403 6.403 7.269 7.269 7.269 7.6675 6.8705 7.6675 6.8705 7.6675 6.8705 6.0044 6.8015 6.0044 6.8015 6.0044 6.8015 8.672 8.672 8.672 5 5 5 3.9248 3.9248 0.9749 4.4248 7.8747 0.4749 3.9248 7.3747 0.4749 3.9248 7.3747 0.9749 4.4248 7.8747 8.3497 8.3497 4.8998 4.8998 1.4499 1.4499 6.8998 6.8998 3.4499 3.4499 0 0 7.6847 4.2348 0.7849 7.5647 4.1148 0.6649 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.408 Cactvs xemistry.com 2012.11.26 6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.408 Cactvs xemistry.com 2012.11.26 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.408 Cactvs xemistry.com 2012.11.26 6 Count Rotatable Bond 5 E_NROTBONDS 3.408 Cactvs xemistry.com 2012.11.26 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.408 Cactvs xemistry.com 2012.11.26 00000371E0603800000000000000400000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.2.0 LexiChem openeye.com 2012.11.26 antimony;ethylene glycol IUPAC Name CAS-like Style 1 2.2.0 LexiChem openeye.com 2012.11.26 antimony;ethane-1,2-diol IUPAC Name Preferred 1 2.2.0 LexiChem openeye.com 2012.11.26 antimony;ethane-1,2-diol IUPAC Name Systematic 1 2.2.0 LexiChem openeye.com 2012.11.26 antimony;ethane-1,2-diol IUPAC Name Traditional 1 2.2.0 LexiChem openeye.com 2012.11.26 antimony;ethylene glycol InChI Standard 1 1.0.4 InChI iupac.org 2012.11.26 InChI=1S/3C2H6O2.2Sb/c3*3-1-2-4;;/h3*3-4H,1-2H2;; InChIKey Standard 1 1.0.4 InChI iupac.org 2012.11.26 OLPUZKZHQFQKKK-UHFFFAOYSA-N Mass Exact 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 429.918368 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 C6H18O6Sb2 Molecular Weight 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 429.72352 SMILES Canonical 1 1.9.0 OEChem openeye.com 2012.11.26 C(CO)O.C(CO)O.C(CO)O.[Sb].[Sb] SMILES Isomeric 1 1.9.0 OEChem openeye.com 2012.11.26 C(CO)O.C(CO)O.C(CO)O.[Sb].[Sb] Topological Polar Surface Area 7 E_TPSA 3.408 Cactvs xemistry.com 2012.11.26 121 Weight MonoIsotopic 7 2.1 PubChem ncbi.nlm.nih.gov 2012.11.26 427.91797 14 0 0 0 0 0 0 0 5 1