3-Deoxy-4-sulfohexosulose
TL;DR: 3-Deoxy-4-sulfohexosulose (CAS 5412-92-0) is a chemical compound with molecular formula C6H10O7S and molecular weight 226.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dihydroxy-5,6-dioxohexane-3-sulfonic acid
Also Known As: 3-Deoxy-4-sulfohexosulose, 3-Deoxy-4-sulphohexosulose, Hexos-2-ulose, 3,4-dideoxy-4-sulfo-, 1,2-dihydroxy-5,6-dioxohexane-3-sulfonic acid, 3,4-Dideoxy-4-sulfohexos-2-ulose
| Molecular Formula | C6H10O7S |
|---|---|
| Molecular Weight | 226.01 g/mol |
| LogP | -2.8 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 226.01472 |
| Heavy Atoms | 14 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 5412-92-0 |
|---|---|
| SMILES | C(C(C(CO)O)S(=O)(=O)O)C(=O)C=O |
| InChIKey | HGCDJOFNOVKMQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Deoxy-4-sulfohexosulose (CAS 5412-92-0), with molecular formula C6H10O7S and molecular weight 226.01 g/mol. IUPAC: 1,2-dihydroxy-5,6-dioxohexane-3-sulfonic acid.
Chemical Property Profile of 3-Deoxy-4-sulfohexosulose
Property Insights of 3-Deoxy-4-sulfohexosulose
The XLogP value of -2.8 indicates that 3-Deoxy-4-sulfohexosulose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Deoxy-4-sulfohexosulose. Following Lipinski's Rule of Five, 3-Deoxy-4-sulfohexosulose has 3 hydrogen bond donor(s) and 7 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-Deoxy-4-sulfohexosulose?
The CAS number of 3-Deoxy-4-sulfohexosulose is 5412-92-0.
What is the molecular formula of 3-Deoxy-4-sulfohexosulose?
The molecular formula of 3-Deoxy-4-sulfohexosulose is C6H10O7S.
What is the molecular weight of 3-Deoxy-4-sulfohexosulose?
The molecular weight of 3-Deoxy-4-sulfohexosulose is 226.01 g/mol.
Where can I buy 3-Deoxy-4-sulfohexosulose?
You can request a quote for 3-Deoxy-4-sulfohexosulose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deoxy-4-sulfohexosulose?
Yes, KEHONG BIO provides custom synthesis services for 3-Deoxy-4-sulfohexosulose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.