Pentaric acid, calcium salt (1:?)
TL;DR: Pentaric acid, calcium salt (1:?) (CAS 68568-63-8) is a chemical compound with molecular formula C5H6CaO7 and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2,3,4-trihydroxypentanedioate
Also Known As: Calcium pentarate, Pentaric acid, calcium salt, Pentaric acid, calcium salt (1:?), calcium 2,3,4-trihydroxypentanedioate, 1-Hydroxypropane-1,2,3-tricarboxylic acid, calcium salt
| Molecular Formula | C5H6CaO7 |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | -5.81 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.97394 |
| Heavy Atoms | 13 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 68568-63-8 |
|---|---|
| SMILES | C(C(C(=O)[O-])O)(C(C(=O)[O-])O)O.[Ca+2] |
| InChIKey | AYECNEQRBSXESR-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentaric acid, calcium salt (1:?) (CAS 68568-63-8), with molecular formula C5H6CaO7 and molecular weight 217.97 g/mol. IUPAC: calcium 2,3,4-trihydroxypentanedioate.
Chemical Property Profile of Pentaric acid, calcium salt (1:?)
Property Insights of Pentaric acid, calcium salt (1:?)
The XLogP value of -5.81 indicates that Pentaric acid, calcium salt (1:?) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Pentaric acid, calcium salt (1:?) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentaric acid, calcium salt (1:?) has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentaric acid, calcium salt (1:?)?
The CAS number of Pentaric acid, calcium salt (1:?) is 68568-63-8.
What is the molecular formula of Pentaric acid, calcium salt (1:?)?
The molecular formula of Pentaric acid, calcium salt (1:?) is C5H6CaO7.
What is the molecular weight of Pentaric acid, calcium salt (1:?)?
The molecular weight of Pentaric acid, calcium salt (1:?) is 217.97 g/mol.
Where can I buy Pentaric acid, calcium salt (1:?)?
You can request a quote for Pentaric acid, calcium salt (1:?) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentaric acid, calcium salt (1:?)?
Yes, KEHONG BIO provides custom synthesis services for Pentaric acid, calcium salt (1:?) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.