gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)
TL;DR: gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid) (CAS 120691-20-5) is a chemical compound with molecular formula C12H24GdN3O9P3-3 and molecular weight 605.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,9-bis(phosphonatomethyl)-1,5,9-triazacyclododec-1-yl]methyl-dioxido-oxo-λ5-phosphane;gadolinium(3+)
Also Known As: Gd-Dotrp, Gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid), [5,9-bis(phosphonatomethyl)-1,5,9-triazacyclododec-1-yl]methyl-dioxido-oxo-, E5-phosphane,gadolinium(3+), Gadolinate(3-), (((1,5,9-triazacyclododecane-1,5,9-triyltris(methylene))tris(phosphonato))(6-))-, (OC-6-22)-
| Molecular Formula | C12H24GdN3O9P3-3 |
|---|---|
| Molecular Weight | 605.00 g/mol |
| LogP | -4.3101 |
| Topological Polar Surface Area | 199.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 604.99664 |
| Heavy Atoms | 28 |
| Complexity | 503.30157 |
Chemical Identifiers
| CAS Number | 120691-20-5 |
|---|---|
| SMILES | C1CN(CCCN(CCCN(C1)CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Gd+3] |
Product Overview
gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid) (CAS 120691-20-5), with molecular formula C12H24GdN3O9P3-3 and molecular weight 605.00 g/mol. IUPAC: [5,9-bis(phosphonatomethyl)-1,5,9-triazacyclododec-1-yl]methyl-dioxido-oxo-λ5-phosphane;gadolinium(3+).
Chemical Property Profile of gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)
Property Insights of gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)
The XLogP value of -4.3101 indicates that gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.29 Ų indicates high polarity, suggesting gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, gadolinium 1,5,9-triazacyclododecane-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
Frequently Asked Questions
What is the CAS number of gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)?
The CAS number of gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid) is 120691-20-5.
What is the molecular formula of gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)?
The molecular formula of gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid) is C12H24GdN3O9P3-3.
What is the molecular weight of gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)?
The molecular weight of gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid) is 605.00 g/mol.
Where can I buy gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)?
You can request a quote for gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid)?
Yes, KEHONG BIO provides custom synthesis services for gadolinium 1,5,9-triazacyclododecane-N,N',N''-tris(methylenephosphonic acid) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.