1,3,4,5,6-五羟基己-2-酮
TL;DR: 1,3,4,5,6-五羟基己-2-酮 (CAS 87-79-6) is a chemical compound with molecular formula C6H12O6 and molecular weight 180.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4,5,6-五羟基己-2-酮
1,3,4,5,6-pentahydroxyhexan-2-one
Also Known As: sorbose, D-Tagatose, fructose, L-(-)-Sorbose, D-fructose
| Molecular Formula | C6H12O6 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | -3.2 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 180.06339 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
Chemical Identifiers
| CAS Number | 87-79-6 |
|---|---|
| SMILES | C(C(C(C(C(=O)CO)O)O)O)O |
| InChIKey | BJHIKXHVCXFQLS-UHFFFAOYSA-N |
Product Overview
1,3,4,5,6-五羟基己-2-酮 (CAS 87-79-6), with molecular formula C6H12O6 and molecular weight 180.06 g/mol. IUPAC: 1,3,4,5,6-pentahydroxyhexan-2-one.
Chemical Property Profile of 1,3,4,5,6-五羟基己-2-酮
Property Insights of 1,3,4,5,6-五羟基己-2-酮
The XLogP value of -3.2 indicates that 1,3,4,5,6-五羟基己-2-酮 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4,5,6-五羟基己-2-酮. Following Lipinski's Rule of Five, 1,3,4,5,6-五羟基己-2-酮 has 5 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 1,3,4,5,6-五羟基己-2-酮?
The CAS number of 1,3,4,5,6-五羟基己-2-酮 is 87-79-6.
What is the molecular formula of 1,3,4,5,6-五羟基己-2-酮?
The molecular formula of 1,3,4,5,6-五羟基己-2-酮 is C6H12O6.
What is the molecular weight of 1,3,4,5,6-五羟基己-2-酮?
The molecular weight of 1,3,4,5,6-五羟基己-2-酮 is 180.06 g/mol.
Where can I buy 1,3,4,5,6-五羟基己-2-酮?
You can request a quote for 1,3,4,5,6-五羟基己-2-酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4,5,6-五羟基己-2-酮?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4,5,6-五羟基己-2-酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.