2-Keto-D-gluconic acid
TL;DR: 2-Keto-D-gluconic acid (CAS 28098-92-2) is a chemical compound with molecular formula C12H18CaO14 and molecular weight 426.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(3,4,5,6-tetrahydroxy-2-oxohexanoate)
Also Known As: 2-Keto-D-gluconic acid, 2-KETOGLUCONIC ACID, CA SALT, calcium;3,4,5,6-tetrahydroxy-2-oxohexanoate, Calcium 3,4,5,6-tetrahydroxy-2-oxo-hexanoate, 2-Keto-D-gluconic acid hemicalcium salt monohydrate
| Molecular Formula | C12H18CaO14 |
|---|---|
| Molecular Weight | 426.03 g/mol |
| LogP | -9.62 |
| Topological Polar Surface Area | 276.24 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 426.03226 |
| Heavy Atoms | 27 |
| Complexity | 452.48944 |
Chemical Identifiers
| CAS Number | 28098-92-2 |
|---|---|
| SMILES | C(C(C(C(C(=O)C(=O)[O-])O)O)O)O.C(C(C(C(C(=O)C(=O)[O-])O)O)O)O.[Ca+2] |
Product Overview
2-Keto-D-gluconic acid (CAS 28098-92-2), with molecular formula C12H18CaO14 and molecular weight 426.03 g/mol. IUPAC: calcium bis(3,4,5,6-tetrahydroxy-2-oxohexanoate).
Chemical Property Profile of 2-Keto-D-gluconic acid
Property Insights of 2-Keto-D-gluconic acid
The XLogP value of -9.62 indicates that 2-Keto-D-gluconic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 276.24 Ų indicates high polarity, suggesting 2-Keto-D-gluconic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Keto-D-gluconic acid has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Keto-D-gluconic acid?
The CAS number of 2-Keto-D-gluconic acid is 28098-92-2.
What is the molecular formula of 2-Keto-D-gluconic acid?
The molecular formula of 2-Keto-D-gluconic acid is C12H18CaO14.
What is the molecular weight of 2-Keto-D-gluconic acid?
The molecular weight of 2-Keto-D-gluconic acid is 426.03 g/mol.
Where can I buy 2-Keto-D-gluconic acid?
You can request a quote for 2-Keto-D-gluconic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Keto-D-gluconic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Keto-D-gluconic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.