1-deoxy-D-threo-hexo-2,5-diulose
TL;DR: 1-deoxy-D-threo-hexo-2,5-diulose (CAS 57538-80-4) 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.
(3S,4S)-1,3,4-trihydroxyhexane-2,5-dione
Also Known As: 1-deoxy-D-threo-hexo-2,5-diulose, 1-Deoxyhexo-2,5-diulose, D-threo-2,5-Hexodiulose, 1-deoxy-, 6-Deoxy-D-threo-2,5-hexodiulose, (3S,4S)-1,3,4-trihydroxyhexane-2,5-dione
| Molecular Formula | C6H10O5 |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | -2.2 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.05283 |
| Heavy Atoms | 11 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 57538-80-4 |
|---|---|
| SMILES | CC(=O)[C@H]([C@@H](C(=O)CO)O)O |
| InChIKey | KFHNTUHHTDAEOF-PHDIDXHHSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-deoxy-D-threo-hexo-2,5-diulose (CAS 57538-80-4), with molecular formula C6H10O5 and molecular weight 162.05 g/mol. IUPAC: (3S,4S)-1,3,4-trihydroxyhexane-2,5-dione.
Chemical Property Profile of 1-deoxy-D-threo-hexo-2,5-diulose
Property Insights of 1-deoxy-D-threo-hexo-2,5-diulose
The XLogP value of -2.2 indicates that 1-deoxy-D-threo-hexo-2,5-diulose 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 1-deoxy-D-threo-hexo-2,5-diulose. Following Lipinski's Rule of Five, 1-deoxy-D-threo-hexo-2,5-diulose 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 1-deoxy-D-threo-hexo-2,5-diulose?
The CAS number of 1-deoxy-D-threo-hexo-2,5-diulose is 57538-80-4.
What is the molecular formula of 1-deoxy-D-threo-hexo-2,5-diulose?
The molecular formula of 1-deoxy-D-threo-hexo-2,5-diulose is C6H10O5.
What is the molecular weight of 1-deoxy-D-threo-hexo-2,5-diulose?
The molecular weight of 1-deoxy-D-threo-hexo-2,5-diulose is 162.05 g/mol.
Where can I buy 1-deoxy-D-threo-hexo-2,5-diulose?
You can request a quote for 1-deoxy-D-threo-hexo-2,5-diulose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-deoxy-D-threo-hexo-2,5-diulose?
Yes, KEHONG BIO provides custom synthesis services for 1-deoxy-D-threo-hexo-2,5-diulose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.