Pentetate Calcium
TL;DR: Pentetate Calcium (CAS 2531-75-1) is a chemical compound with molecular formula C14H21CaN3O10 and molecular weight 431.0853 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium 2-[2-[bis(carboxymethyl)amino]ethyl-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate
Also Known As: Calcium DTPA, Calcium DIPA, Pentetic acid, Pentetate calcium, Ca-DTPA
Technical Specifications
| Molecular Formula | C14H21CaN3O10 |
| Molecular Weight | 431.0853 g/mol |
| XLogP | -5.73 |
| Topological Polar Surface Area (TPSA) | 202.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 431.0853 Da |
| Heavy Atoms | 28 |
| Complexity | 526.0 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Ca+2] |
| InChIKey | BHRQIJRLOVHRKH-UHFFFAOYSA-L |
Product Description
Applications: Pentetate Calcium is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Pentetate Calcium (CAS 2531-75-1) has the molecular formula C14H21CaN3O10 and a molecular weight of 431.09 g/mol. Synonyms include Calcium DTPA and Calcium DIPA.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pentetate Calcium
Property Insights of Pentetate Calcium
The XLogP value of -5.73 indicates that Pentetate Calcium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Pentetate Calcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentetate Calcium has 3 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentetate Calcium?
The CAS number of Pentetate Calcium is 2531-75-1.
What is the molecular formula of Pentetate Calcium?
The molecular formula of Pentetate Calcium is C14H21CaN3O10.
What is the molecular weight of Pentetate Calcium?
The molecular weight of Pentetate Calcium is 431.0853 g/mol.
What are the applications of Pentetate Calcium?
Pentetate Calcium is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Pentetate Calcium?
You can request a quote for Pentetate Calcium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentetate Calcium?
Yes, CoreyChem provides custom synthesis services for Pentetate Calcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.