Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)
TL;DR: Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid) (CAS 121183-84-4) is a chemical compound with molecular formula C9H18GdN3O9P3-3 and molecular weight 562.9497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4,7-bis(phosphonatomethyl)-1,4,7-triazonan-1-yl]methyl-dioxido-oxo-λ5-phosphane;gadolinium(3+)
Also Known As: Gd-Notp, Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid), [4,7-bis(phosphonatomethyl)-1,4,7-triazonan-1-yl]methyl-dioxido-oxo-, [4,7-bis(phosphonatomethyl)-1,4,7-triazonan-1-yl]methyl-dioxido-oxo-, E5-phosphane,gadolinium(3+)
Technical Specifications
| Molecular Formula | C9H18GdN3O9P3-3 |
| Molecular Weight | 562.9497 g/mol |
| XLogP | -5.4804 |
| Topological Polar Surface Area (TPSA) | 199.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 562.9497 Da |
| Heavy Atoms | 25 |
| Complexity | 421.0 |
| SMILES | C1CN(CCN(CCN1CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Gd+3] |
| InChIKey | DIQGNQVERIPIGP-UHFFFAOYSA-H |
Chemical Property Profile of Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)
Property Insights of Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)
The XLogP value of -5.4804 indicates that Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.0 Ų indicates high polarity, suggesting Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic 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-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)?
The CAS number of Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid) is 121183-84-4.
What is the molecular formula of Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)?
The molecular formula of Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid) is C9H18GdN3O9P3-3.
What is the molecular weight of Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)?
The molecular weight of Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid) is 562.9497 g/mol.
Where can I buy Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)?
You can request a quote for Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid)?
Yes, CoreyChem provides custom synthesis services for Gadolinium-1,4,7-triazacyclononane-N,N',N''-tris(methylenephosphonic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.