3-脱氧己-2-酮糖酸
TL;DR: 3-脱氧己-2-酮糖酸 (CAS 158647-63-3) is a chemical compound with molecular formula C6H10O6 and molecular weight 178.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-脱氧己-2-酮糖酸
4,5,6-trihydroxy-2-oxohexanoic acid
Also Known As: 3-deoxyhex-2-ulosonic acid, 2-keto-3-deoxygluconate, 3-deoxy-2-oxo-D-gluconate, 2-Oxo-3-deoxygalactonic acid, 3-Deoxy-D-threo-hexulosonic acid
| Molecular Formula | C6H10O6 |
|---|---|
| Molecular Weight | 178.05 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.04774 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 158647-63-3 |
|---|---|
| SMILES | C(C(C(CO)O)O)C(=O)C(=O)O |
| InChIKey | WPAMZTWLKIDIOP-UHFFFAOYSA-N |
Product Overview
3-脱氧己-2-酮糖酸 (CAS 158647-63-3), with molecular formula C6H10O6 and molecular weight 178.05 g/mol. IUPAC: 4,5,6-trihydroxy-2-oxohexanoic acid.
Chemical Property Profile of 3-脱氧己-2-酮糖酸
Property Insights of 3-脱氧己-2-酮糖酸
The XLogP value of -2.3 indicates that 3-脱氧己-2-酮糖酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-脱氧己-2-酮糖酸. Following Lipinski's Rule of Five, 3-脱氧己-2-酮糖酸 has 4 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 3-脱氧己-2-酮糖酸?
The CAS number of 3-脱氧己-2-酮糖酸 is 158647-63-3.
What is the molecular formula of 3-脱氧己-2-酮糖酸?
The molecular formula of 3-脱氧己-2-酮糖酸 is C6H10O6.
What is the molecular weight of 3-脱氧己-2-酮糖酸?
The molecular weight of 3-脱氧己-2-酮糖酸 is 178.05 g/mol.
Where can I buy 3-脱氧己-2-酮糖酸?
You can request a quote for 3-脱氧己-2-酮糖酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-脱氧己-2-酮糖酸?
Yes, KEHONG BIO provides custom synthesis services for 3-脱氧己-2-酮糖酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.