Betaine D-gluconate
TL;DR: Betaine D-gluconate (CAS 94108-03-9) is a chemical compound with molecular formula C11H23NO9 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
carboxymethyl(trimethyl)azanium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Also Known As: Betaine D-gluconate, D-Gluconic acid, ion(1-), 1-carboxy-N,N,N-trimethylmethanaminium, carboxy-n,n,n-trimethylmethanaminium(2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoate(non-preferred name), carboxymethyl(trimethyl)azanium; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate, carboxymethyl-trimethyl-azanium; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
| Molecular Formula | C11H23NO9 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | -5.05 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 313.13727 |
| Heavy Atoms | 21 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 94108-03-9 |
|---|---|
| SMILES | C[N+](C)(C)CC(=O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O |
| InChIKey | UQBXMPGEPBEEAU-JJKGCWMISA-N |
Product Overview
Betaine D-gluconate (CAS 94108-03-9), with molecular formula C11H23NO9 and molecular weight 313.14 g/mol. IUPAC: carboxymethyl(trimethyl)azanium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate.
Chemical Property Profile of Betaine D-gluconate
Property Insights of Betaine D-gluconate
The XLogP value of -5.05 indicates that Betaine D-gluconate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting Betaine D-gluconate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Betaine D-gluconate has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Betaine D-gluconate?
The CAS number of Betaine D-gluconate is 94108-03-9.
What is the molecular formula of Betaine D-gluconate?
The molecular formula of Betaine D-gluconate is C11H23NO9.
What is the molecular weight of Betaine D-gluconate?
The molecular weight of Betaine D-gluconate is 313.14 g/mol.
Where can I buy Betaine D-gluconate?
You can request a quote for Betaine D-gluconate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Betaine D-gluconate?
Yes, KEHONG BIO provides custom synthesis services for Betaine D-gluconate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.