58965254 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 22 15 15 8 8 8 8 8 8 8 8 6 6 6 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 2 2 2 2 3 3 3 4 4 5 5 6 8 10 12 12 12 13 13 14 14 14 4 5 6 6 7 8 9 7 10 11 12 19 13 20 21 22 14 13 15 16 17 18 23 24 25 6 6 6 1 1 1 2 1 1 2 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 4.5981 3.732 2.866 5.4071 3.7891 4.5981 2.866 4.232 3.232 2 3.732 5.0981 4.0981 2 5.7045 5.0333 4.1629 3.4916 5.9967 3.1994 5.135 4.852 1.38 2 2.62 1.4806 -0.0194 -1.5194 2.0684 2.0684 0.4806 -0.5194 -0.8854 0.8466 -2.0194 -2.0194 3.0194 3.0194 -3.0194 3.1483 3.636 3.636 3.1483 1.8768 1.8768 0.1706 -0.8854 -3.0194 -3.6394 -3.0194 1 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 183 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 00000371C0403C03000002000000000000000000000120000000000000000000000000000000001A00000820000000A080020200000003100040000000800000000000000000000000000110000000000000000000000100000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethylene glycol;methoxy-oxo-phosphonooxy-phosphonium;titanium IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;methoxy-oxo-phosphonooxyphosphonium;titanium IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;methoxy-oxo-phosphonooxyphosphanium;titanium IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;methoxy-oxo-phosphonooxyphosphanium;titanium IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethane-1,2-diol;methoxy-oxidanylidene-phosphonooxy-phosphanium;titanium IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 ethylene glycol;keto-methoxy-phosphonooxy-phosphonium;titanium InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C2H6O2.CH4O6P2.Ti/c3-1-2-4;1-6-8(2)7-9(3,4)5;/h3-4H,1-2H2;1H3,(H-,3,4,5);/p+1 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RIPGAMSGXQVBGG-UHFFFAOYSA-O Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.9408570 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C3H11O8P2Ti+ Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.93 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CO[P+](=O)OP(=O)(O)O.C(CO)O.[Ti] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CO[P+](=O)OP(=O)(O)O.C(CO)O.[Ti] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 134 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 284.9408570 14 0 0 0 0 0 0 0 3 -1