5-Sulfooxymethylfurfural
TL;DR: 5-Sulfooxymethylfurfural (CAS 159091-76-6) is a chemical compound with molecular formula C6H6O6S and molecular weight 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-formylfuran-2-yl)methyl hydrogen sulfate
Also Known As: 5-Sulfooxymethylfurfural, 5-sulfoxymethylfurfural, 5-sulphooxymethylfurfural, 5-(Sulfooxymethyl)furfural, (5-formylfuran-2-yl)methyl hydrogen sulfate
| Molecular Formula | C6H6O6S |
|---|---|
| Molecular Weight | 205.99 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.98851 |
| Heavy Atoms | 13 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 159091-76-6 |
|---|---|
| SMILES | C1=C(OC(=C1)C=O)COS(=O)(=O)O |
| InChIKey | WVMJEBICTINBRO-UHFFFAOYSA-N |
Product Overview
5-Sulfooxymethylfurfural (CAS 159091-76-6), with molecular formula C6H6O6S and molecular weight 205.99 g/mol. IUPAC: (5-formylfuran-2-yl)methyl hydrogen sulfate.
Chemical Property Profile of 5-Sulfooxymethylfurfural
Property Insights of 5-Sulfooxymethylfurfural
The XLogP value of -0.5 indicates that 5-Sulfooxymethylfurfural is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Sulfooxymethylfurfural. Following Lipinski's Rule of Five, 5-Sulfooxymethylfurfural has 1 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 5-Sulfooxymethylfurfural?
The CAS number of 5-Sulfooxymethylfurfural is 159091-76-6.
What is the molecular formula of 5-Sulfooxymethylfurfural?
The molecular formula of 5-Sulfooxymethylfurfural is C6H6O6S.
What is the molecular weight of 5-Sulfooxymethylfurfural?
The molecular weight of 5-Sulfooxymethylfurfural is 205.99 g/mol.
Where can I buy 5-Sulfooxymethylfurfural?
You can request a quote for 5-Sulfooxymethylfurfural directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Sulfooxymethylfurfural?
Yes, KEHONG BIO provides custom synthesis services for 5-Sulfooxymethylfurfural and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.