TL;DR: Mhe-dtta (CAS 138420-02-7) is a chemical compound with molecular formula C32H56N4O13 and molecular weight 704.3844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-tetradecanoyloxyethyl)amino]ethyl-(2-hydroxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid
Also Known As: Mhe-dtta, Gd-Mhe-dtta, F2Zr, 2-[[2-[2-[[2-[bis(carboxymethyl)amino]-2-oxoethyl]-(2-tetradecanoyloxyethyl)amino]ethyl-(2-hydroxyethyl)amino]acetyl]-(carboxymethyl)amino]acetic acid, N(3)-2'-Myristoyloxyethyl-N(6)-2'-hydroxyethyl-1,8-dioxotriethylenetetramine-N,N,N',N'-tetraacetic acid
| Molecular Formula | C32H56N4O13 |
| Molecular Weight | 704.3844 g/mol |
| XLogP | -1.4 |
| Topological Polar Surface Area (TPSA) | 243.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 33 |
| Exact Mass | 704.3844 Da |
| Heavy Atoms | 49 |
| Complexity | 995.0 |
| SMILES | CCCCCCCCCCCCCC(=O)OCCN(CCN(CCO)CC(=O)N(CC(=O)O)CC(=O)O)CC(=O)N(CC(=O)O)CC(=O)O |
| InChIKey | FLQUOGJSSXUQCY-UHFFFAOYSA-N |
The XLogP value of -1.4 indicates that Mhe-dtta is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 243.0 Ų indicates high polarity, suggesting Mhe-dtta may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mhe-dtta has 5 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Mhe-dtta is 138420-02-7.
The molecular formula of Mhe-dtta is C32H56N4O13.
The molecular weight of Mhe-dtta is 704.3844 g/mol.
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