11088054 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 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 1 1 1 2 2 3 3 4 4 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 2 3 4 8 14 9 15 10 16 11 29 12 30 13 31 11 17 18 12 19 20 13 21 22 23 24 25 26 27 28 6 6 6 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 6.001 6.8671 5.135 6.001 9.4651 2.5369 4.269 7.7331 4.269 5.135 8.5991 3.403 5.135 6.8671 5.135 6.538 7.3346 8.1316 3.8705 4.6675 4.923 4.5244 8.9976 8.2006 3.8015 3.0044 5.3471 5.7456 10.0021 2 4.269 1.25 1.75 1.75 0.25 1.25 1.25 -1.75 1.25 1.25 -0.25 1.75 1.75 -1.25 2.37 2.37 -0.06 0.7751 0.7751 0.7751 0.7751 0.3326 -0.3577 2.225 2.225 2.225 2.225 -1.8326 -1.1423 1.56 1.56 -2.37 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 38.6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E0603800000000000000400000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/3C2H6O2.Sb/c3*3-1-2-4;/h3*3-4H,1-2H2; InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ACNJFKZKVLVTPX-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.01415 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C6H18O6Sb Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.96 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO)O.C(CO)O.C(CO)O.[Sb] SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C(CO)O.C(CO)O.C(CO)O.[Sb] Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 121 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 307.01415 13 0 0 0 0 0 0 0 4 -1