TL;DR: Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid (CAS 134771-72-5) is a chemical compound with molecular formula C45H68Mg3O19 and molecular weight 984.3906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimagnesium;6-[2-carboxylato-6-[(11-carboxylato-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate;methanolate
Also Known As: Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid, Magnesium, (mu-3-((3-beta,20-beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-beta-D-glucopyranuronosyl-alpha-D-glucopyranosiduronato(3-)))trimethoxytri-
| Molecular Formula | C45H68Mg3O19 |
| Molecular Weight | 984.3906 g/mol |
| XLogP | -5.9714 |
| Topological Polar Surface Area (TPSA) | 345.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 6 |
| Exact Mass | 984.3906 Da |
| Heavy Atoms | 67 |
| Complexity | 1730.0 |
| SMILES | CC1(CC(CC2(C1CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C)OC6C(C(C(C(O6)C(=O)[O-])OC7C(C(C(C(O7)C(=O)[O-])O)O)O)O)O)C.C[O-].C[O-].C[O-].[Mg+2].[Mg+2].[Mg+2] |
| InChIKey | MHGVDLIOHXBHMM-UHFFFAOYSA-K |
The XLogP value of -5.9714 indicates that Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 345.0 Ų indicates high polarity, suggesting Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid has 5 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid is 134771-72-5.
The molecular formula of Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid is C45H68Mg3O19.
The molecular weight of Tri(O-methoxy)magnesium salt of beta-glycyrrhizic acid is 984.3906 g/mol.
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