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 11 11 11 12 12 13 13 13 14 14 9 27 10 28 11 29 12 30 13 31 14 32 10 15 16 17 18 12 19 20 21 22 14 23 24 25 26 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 8.135 5.5369 8.135 5.5369 8.135 5.5369 7.269 6.403 7.269 6.403 7.269 6.403 7.6675 6.8705 6.0044 6.8015 7.6675 6.8705 6.0044 6.8015 7.6675 6.8705 6.0044 6.8015 8.672 5 8.672 5 8.672 5 3.9248 3.9248 0.4749 0.9749 3.9248 4.4248 7.3747 7.8747 0.9749 0.4749 4.4248 3.9248 7.8747 7.3747 1.4499 1.4499 0 0 4.8998 4.8998 3.4499 3.4499 8.3497 8.3497 6.8998 6.8998 0.7849 0.6649 4.2348 4.1148 7.6847 7.5647 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E0603800000000000000400000000000000000000000000000000000000000000000001A00000800000000A080020000000002000000000000000000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/3C2H6O2.2Sb/c3*3-1-2-4;;/h3*3-4H,1-2H2;; InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 OLPUZKZHQFQKKK-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 429.91836 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C6H18O6Sb2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 429.72 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(CO)O.C(CO)O.C(CO)O.[Sb].[Sb] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C(CO)O.C(CO)O.C(CO)O.[Sb].[Sb] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 121 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 427.91796 14 0 0 0 0 0 0 0 5 -1