Gd-Mcta
TL;DR: Gd-Mcta (CAS 121777-46-6) is a chemical compound with molecular formula C17H27GdN4O8 and molecular weight 573.107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
gadolinium(3+);hydron;2-[4,7,10-tris(carboxylatomethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
Also Known As: Gadolinium-mcta, Gd-Mcta, gadolinium(3+);hydron;2-[4,7,10-tris(carboxylatomethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetate, Gadolinate(1-), (2-methyl-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-N1,N4,N7,N10,O1,O4,O7,O10)-, hydrogen, gadolinium(3+),hydron,2-[4,7,10-tris(carboxylatomethyl)-6-methyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
Technical Specifications
| Molecular Formula | C17H27GdN4O8 |
| Molecular Weight | 573.107 g/mol |
| XLogP | -7.2914 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 573.107 Da |
| Heavy Atoms | 30 |
| Complexity | 566.0 |
| SMILES | [H+].CC1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | YXQJHBCWAPKEIJ-UHFFFAOYSA-K |
Chemical Property Profile of Gd-Mcta
Property Insights of Gd-Mcta
The XLogP value of -7.2914 indicates that Gd-Mcta is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting Gd-Mcta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gd-Mcta has 1 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Gd-Mcta?
The CAS number of Gd-Mcta is 121777-46-6.
What is the molecular formula of Gd-Mcta?
The molecular formula of Gd-Mcta is C17H27GdN4O8.
What is the molecular weight of Gd-Mcta?
The molecular weight of Gd-Mcta is 573.107 g/mol.
Where can I buy Gd-Mcta?
You can request a quote for Gd-Mcta directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gd-Mcta?
Yes, CoreyChem provides custom synthesis services for Gd-Mcta and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.