71586993 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 15 15 12 8 8 8 8 8 8 8 8 8 8 1 1 1 1 1 1 1 1 3 2 8 -1 9 -1 1 1 1 1 2 2 2 2 4 5 6 7 12 12 13 13 4 5 8 10 6 7 9 11 14 15 16 17 18 19 20 21 1 1 1 2 1 1 1 2 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 1.403 4.8671 3.135 0.5369 0.903 5.7331 5.3671 2.269 4.001 1.903 4.3671 3.135 3.135 0 1.213 6.27 5.0571 3.672 2.5981 3.672 2.5981 0.866 0.866 0.866 0.366 1.732 0.366 1.732 1.366 1.366 0 0 6.769 4.269 0.676 2.269 0.676 2.269 7.079 7.079 4.579 4.579 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 49.8 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 10 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0003C030000200000000000000000000000000000000000000000000000000000000000000008200000000000000000000000100040000000800000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;dihydrogen phosphate;dihydrate IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;dihydrogen phosphate;dihydrate IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;dihydrogen phosphate;dihydrate IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;dihydrogen phosphate;dihydrate IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;dihydrogen phosphate;dihydrate IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 magnesium;dihydrogen phosphate;dihydrate InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/Mg.2H3O4P.2H2O/c;2*1-5(2,3)4;;/h;2*(H3,1,2,3,4);2*1H2/q+2;;;;/p-2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 ZMLUGOYYWKLJIZ-UHFFFAOYSA-L Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.9443121 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 H8MgO10P2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 254.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O.O.OP(=O)(O)[O-].OP(=O)(O)[O-].[Mg+2] SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 O.O.OP(=O)(O)[O-].OP(=O)(O)[O-].[Mg+2] Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 163 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 253.9443121 13 0 0 0 0 0 0 0 5 -1