D-葡萄糖醛酸-3-硫酸氢酯
TL;DR: D-葡萄糖醛酸-3-硫酸氢酯 (CAS 110231-93-1) is a chemical compound with molecular formula C6H10O10S and molecular weight 274.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
D-葡萄糖醛酸-3-硫酸氢酯
(2S,3R,4S,5R)-2,3,5-trihydroxy-6-oxo-4-sulfooxyhexanoic acid
Also Known As: 3-Sulfoglucuronic acid, Glucuronate 3-sulfate, Glucuronic acid 3-sulfate, D-glucuronic acid 3-sulfate, 3-O-sulfo-D-glucuronic acid
| Molecular Formula | C6H10O10S |
|---|---|
| Molecular Weight | 274.00 g/mol |
| LogP | -3.6 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 273.99948 |
| Heavy Atoms | 17 |
| Complexity | 369.0 |
Chemical Identifiers
| CAS Number | 110231-93-1 |
|---|---|
| SMILES | C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)OS(=O)(=O)O)O |
| InChIKey | DLJXFFATZRGSBR-SKNVOMKLSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
D-葡萄糖醛酸-3-硫酸氢酯 (CAS 110231-93-1), with molecular formula C6H10O10S and molecular weight 274.00 g/mol. IUPAC: (2S,3R,4S,5R)-2,3,5-trihydroxy-6-oxo-4-sulfooxyhexanoic acid.
Chemical Property Profile of D-葡萄糖醛酸-3-硫酸氢酯
Property Insights of D-葡萄糖醛酸-3-硫酸氢酯
The XLogP value of -3.6 indicates that D-葡萄糖醛酸-3-硫酸氢酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.0 Ų indicates high polarity, suggesting D-葡萄糖醛酸-3-硫酸氢酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, D-葡萄糖醛酸-3-硫酸氢酯 has 5 hydrogen bond donor(s) and 10 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 D-葡萄糖醛酸-3-硫酸氢酯?
The CAS number of D-葡萄糖醛酸-3-硫酸氢酯 is 110231-93-1.
What is the molecular formula of D-葡萄糖醛酸-3-硫酸氢酯?
The molecular formula of D-葡萄糖醛酸-3-硫酸氢酯 is C6H10O10S.
What is the molecular weight of D-葡萄糖醛酸-3-硫酸氢酯?
The molecular weight of D-葡萄糖醛酸-3-硫酸氢酯 is 274.00 g/mol.
Where can I buy D-葡萄糖醛酸-3-硫酸氢酯?
You can request a quote for D-葡萄糖醛酸-3-硫酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D-葡萄糖醛酸-3-硫酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for D-葡萄糖醛酸-3-硫酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.