TL;DR: beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, magnesium complex, (R)- (CAS 131810-94-1) is a chemical compound with molecular formula C18H34MgN2O11 and molecular weight 478.2013 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
magnesium;bis(3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate);hydrate
Also Known As: beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, magnesium complex, (R)-, Magnesium, bis(N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninato-N,O)-, monohydrate, (T-4-(R),(R))-, magnesium 3-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]propanoate hydrate
| Molecular Formula | C18H34MgN2O11 |
| Molecular Weight | 478.2013 g/mol |
| XLogP | -5.9615 |
| Topological Polar Surface Area (TPSA) | 220.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 10 |
| Exact Mass | 478.2013 Da |
| Heavy Atoms | 32 |
| Complexity | 233.0 |
| SMILES | CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.CC(C)(CO)C(C(=O)NCCC(=O)[O-])O.O.[Mg+2] |
| InChIKey | YGZXDYIVNNNODL-UHFFFAOYSA-L |
The XLogP value of -5.9615 indicates that beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, magnesium complex, (R)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, magnesium complex, (R)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, magnesium complex, (R)- has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, magnesium complex, (R)- is 131810-94-1.
The molecular formula of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, magnesium complex, (R)- is C18H34MgN2O11.
The molecular weight of beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, magnesium complex, (R)- is 478.2013 g/mol.
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