Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid
TL;DR: Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid (CAS 129964-84-7) is a chemical compound with molecular formula C18H30GdN3O9 and molecular weight 590.1223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[10,16-bis(carboxylatomethyl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl]acetate;gadolinium(3+)
Also Known As: Gd(Ttct), Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid, (1,7,13-Trioxa-4,10,16-triazacyclooctadecane-4,10,16-triacetato(3-)-N4,N10,N16,O1,O4,O7,O10,O13,O16)gadolinium, Gadolinium, (1,7,13-trioxa-4,10,16-triazacyclooctadecane-4,10,16-triacetato(3-)-N4,N10,N16,O1,O4,O7,O10,O13,O16)-, 2-[10,16-bis(2-oxido-2-oxoethyl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-4-yl]acetate; gadolinium(3+)
Technical Specifications
| Molecular Formula | C18H30GdN3O9 |
| Molecular Weight | 590.1223 g/mol |
| XLogP | -5.7945 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 590.1223 Da |
| Heavy Atoms | 31 |
| Complexity | 415.0 |
| SMILES | C1COCCN(CCOCCN(CCOCCN1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | HQZPCBTWYRQVRC-UHFFFAOYSA-K |
Chemical Property Profile of Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid
Property Insights of Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid
The XLogP value of -5.7945 indicates that Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid has 0 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 Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid?
The CAS number of Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid is 129964-84-7.
What is the molecular formula of Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid?
The molecular formula of Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid is C18H30GdN3O9.
What is the molecular weight of Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid?
The molecular weight of Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid is 590.1223 g/mol.
Where can I buy Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid?
You can request a quote for Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid?
Yes, CoreyChem provides custom synthesis services for Gadolinium-1,7,13-triaza-4,10,16-trioxacyclooctadecane-N,N',N''-triacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.