β-葡萄糖异糖酸
TL;DR: β-葡萄糖异糖酸 (CAS 1518-54-3) 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.
β-葡萄糖异糖酸
2,4,5-trihydroxy-2-(hydroxymethyl)pentanoic acid
Also Known As: Isosaccharinic acid, Glucoisosaccharinic acid, a-D-Isosaccharinic acid, BETA-GLUCOISOSACCHARINIC ACID, 2,4,5-trihydroxy-2-(hydroxymethyl)pentanoic acid
| Molecular Formula | C6H12O6 |
|---|---|
| Molecular Weight | 180.06 g/mol |
| LogP | -2.6 |
| 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 | 158.0 |
Chemical Identifiers
| CAS Number | 1518-54-3 |
|---|---|
| SMILES | C(C(CO)O)C(CO)(C(=O)O)O |
| InChIKey | SGOVJIDEXZEOTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
β-葡萄糖异糖酸 (CAS 1518-54-3), with molecular formula C6H12O6 and molecular weight 180.06 g/mol. IUPAC: 2,4,5-trihydroxy-2-(hydroxymethyl)pentanoic acid.
Chemical Property Profile of β-葡萄糖异糖酸
Property Insights of β-葡萄糖异糖酸
The XLogP value of -2.6 indicates that β-葡萄糖异糖酸 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 β-葡萄糖异糖酸. Following Lipinski's Rule of Five, β-葡萄糖异糖酸 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 β-葡萄糖异糖酸?
The CAS number of β-葡萄糖异糖酸 is 1518-54-3.
What is the molecular formula of β-葡萄糖异糖酸?
The molecular formula of β-葡萄糖异糖酸 is C6H12O6.
What is the molecular weight of β-葡萄糖异糖酸?
The molecular weight of β-葡萄糖异糖酸 is 180.06 g/mol.
Where can I buy β-葡萄糖异糖酸?
You can request a quote for β-葡萄糖异糖酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for β-葡萄糖异糖酸?
Yes, KEHONG BIO provides custom synthesis services for β-葡萄糖异糖酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.