Betaine alpha-D-glucofuranuronate
TL;DR: Betaine alpha-D-glucofuranuronate (CAS 94108-60-8) is a chemical compound with molecular formula C11H21NO9 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
carboxymethyl(trimethyl)azanium;(2S)-2-hydroxy-2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetate
Also Known As: Betaine alpha-D-glucofuranuronate, betainealpha-D-glucofuranuronate, alpha-D-Glucofuranuronic acid, ion(1-), 1-carboxy-N,N,N-trimethylmethanaminium, carboxy-n,n,n-trimethylmethanaminium(2s)-hydroxy[(2s,3r,4r,5s)-3,4,5-trihydroxytetrahydrofuran-2-yl]ethanoate(non-preferred name), carboxymethyl(trimethyl)azanium; (2S)-2-hydroxy-2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetate
| Molecular Formula | C11H21NO9 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | -4.69 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.12164 |
| Heavy Atoms | 21 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 94108-60-8 |
|---|---|
| SMILES | C[N+](C)(C)CC(=O)O.[C@H]1([C@H]([C@H](O[C@@H]1[C@@H](C(=O)[O-])O)O)O)O |
| InChIKey | QPYCRBIYNBYSDQ-JETIKSQDSA-N |
Product Overview
Betaine alpha-D-glucofuranuronate (CAS 94108-60-8), with molecular formula C11H21NO9 and molecular weight 311.12 g/mol. IUPAC: carboxymethyl(trimethyl)azanium;(2S)-2-hydroxy-2-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]acetate.
Chemical Property Profile of Betaine alpha-D-glucofuranuronate
Property Insights of Betaine alpha-D-glucofuranuronate
The XLogP value of -4.69 indicates that Betaine alpha-D-glucofuranuronate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting Betaine alpha-D-glucofuranuronate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Betaine alpha-D-glucofuranuronate has 5 hydrogen bond donor(s) and 9 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 Betaine alpha-D-glucofuranuronate?
The CAS number of Betaine alpha-D-glucofuranuronate is 94108-60-8.
What is the molecular formula of Betaine alpha-D-glucofuranuronate?
The molecular formula of Betaine alpha-D-glucofuranuronate is C11H21NO9.
What is the molecular weight of Betaine alpha-D-glucofuranuronate?
The molecular weight of Betaine alpha-D-glucofuranuronate is 311.12 g/mol.
Where can I buy Betaine alpha-D-glucofuranuronate?
You can request a quote for Betaine alpha-D-glucofuranuronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betaine alpha-D-glucofuranuronate?
Yes, KEHONG BIO provides custom synthesis services for Betaine alpha-D-glucofuranuronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.