4-脱氧-5-酮己糖醛酸
TL;DR: 4-脱氧-5-酮己糖醛酸 (CAS 116696-68-5) is a chemical compound with molecular formula C6H8O6 and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-脱氧-5-酮己糖醛酸
4,5-dihydroxy-2,6-dioxohexanoic acid
Also Known As: Hexuronic acid, 4-deoxy-5-keto-, 4-Deoxyhex-5-ulosuronic acid, 4-Deoxy-5-keto-hexuronic acid, 4,5-dihydroxy-2,6-dioxohexanoic acid
| Molecular Formula | C6H8O6 |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.03209 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 116696-68-5 |
|---|---|
| SMILES | C(C(C(C=O)O)O)C(=O)C(=O)O |
| InChIKey | IMUGYKFHMJLTOU-UHFFFAOYSA-N |
Product Overview
4-脱氧-5-酮己糖醛酸 (CAS 116696-68-5), with molecular formula C6H8O6 and molecular weight 176.03 g/mol. IUPAC: 4,5-dihydroxy-2,6-dioxohexanoic acid.
Chemical Property Profile of 4-脱氧-5-酮己糖醛酸
Property Insights of 4-脱氧-5-酮己糖醛酸
The XLogP value of -2.1 indicates that 4-脱氧-5-酮己糖醛酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-脱氧-5-酮己糖醛酸. Following Lipinski's Rule of Five, 4-脱氧-5-酮己糖醛酸 has 3 hydrogen bond donor(s) and 6 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 4-脱氧-5-酮己糖醛酸?
The CAS number of 4-脱氧-5-酮己糖醛酸 is 116696-68-5.
What is the molecular formula of 4-脱氧-5-酮己糖醛酸?
The molecular formula of 4-脱氧-5-酮己糖醛酸 is C6H8O6.
What is the molecular weight of 4-脱氧-5-酮己糖醛酸?
The molecular weight of 4-脱氧-5-酮己糖醛酸 is 176.03 g/mol.
Where can I buy 4-脱氧-5-酮己糖醛酸?
You can request a quote for 4-脱氧-5-酮己糖醛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-脱氧-5-酮己糖醛酸?
Yes, KEHONG BIO provides custom synthesis services for 4-脱氧-5-酮己糖醛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.