Gd-Dota
TL;DR: Gd-Dota (CAS 92923-44-9) is a chemical compound with molecular formula C16H24GdN4NaO8 and molecular weight 581.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;gadolinium(3+);2-[4,7,10-tris(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Also Known As: Gadoterate sodium, Gd-Dota, Gadoterate, Dotarem, Gadolinium dota
| Molecular Formula | C16H24GdN4NaO8 |
|---|---|
| Molecular Weight | 581.07 g/mol |
| LogP | -10.79 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 581.0733 |
| Heavy Atoms | 30 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 92923-44-9 |
|---|---|
| SMILES | C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Gd+3] |
| InChIKey | VIFBVOSDYUIKIK-UHFFFAOYSA-J |
Product Overview
Gd-Dota (CAS 92923-44-9), with molecular formula C16H24GdN4NaO8 and molecular weight 581.07 g/mol. IUPAC: sodium;gadolinium(3+);2-[4,7,10-tris(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate.
Chemical Property Profile of Gd-Dota
Property Insights of Gd-Dota
The XLogP value of -10.79 indicates that Gd-Dota 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-Dota may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gd-Dota 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 Gd-Dota?
The CAS number of Gd-Dota is 92923-44-9.
What is the molecular formula of Gd-Dota?
The molecular formula of Gd-Dota is C16H24GdN4NaO8.
What is the molecular weight of Gd-Dota?
The molecular weight of Gd-Dota is 581.07 g/mol.
Where can I buy Gd-Dota?
You can request a quote for Gd-Dota directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gd-Dota?
Yes, KEHONG BIO provides custom synthesis services for Gd-Dota and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.