3-Deoxyglucosone
TL;DR: 3-Deoxyglucosone (CAS 4084-27-9) is a chemical compound with molecular formula C6H10O5 and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R)-4,5,6-trihydroxy-2-oxohexanal
Also Known As: 3-Deoxyglucosone, 3-Deoxy-D-glucosone, D-3-Deoxyglucosone, 2-Keto-3-deoxyglucose, 3-Deoxy-D-erythro-hexos-2-ulose
| Molecular Formula | C6H10O5 |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.05283 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 4084-27-9 |
|---|---|
| SMILES | C([C@@H]([C@@H](CO)O)O)C(=O)C=O |
| InChIKey | ZGCHLOWZNKRZSN-NTSWFWBYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Deoxyglucosone (CAS 4084-27-9), with molecular formula C6H10O5 and molecular weight 162.05 g/mol. IUPAC: (4S,5R)-4,5,6-trihydroxy-2-oxohexanal.
Chemical Property Profile of 3-Deoxyglucosone
Property Insights of 3-Deoxyglucosone
The XLogP value of -2.4 indicates that 3-Deoxyglucosone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Deoxyglucosone. Following Lipinski's Rule of Five, 3-Deoxyglucosone has 3 hydrogen bond donor(s) and 5 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-Deoxyglucosone?
The CAS number of 3-Deoxyglucosone is 4084-27-9.
What is the molecular formula of 3-Deoxyglucosone?
The molecular formula of 3-Deoxyglucosone is C6H10O5.
What is the molecular weight of 3-Deoxyglucosone?
The molecular weight of 3-Deoxyglucosone is 162.05 g/mol.
Where can I buy 3-Deoxyglucosone?
You can request a quote for 3-Deoxyglucosone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deoxyglucosone?
Yes, KEHONG BIO provides custom synthesis services for 3-Deoxyglucosone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.