Rebaudioside A
TL;DR: Rebaudioside A (CAS 6027-23-2) is a chemical compound with molecular formula C44H70O23 and molecular weight 966.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S,5R,9S,10R)-12-[(2R,3R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Also Known As: Rebaudioside A, 1-o-[(5, A,9, A,10, A)-12-{[
| Molecular Formula | C44H70O23 |
|---|---|
| Molecular Weight | 966.43 g/mol |
| LogP | -2.7 |
| Topological Polar Surface Area | 374.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 13 |
| Exact Mass | 966.4308 |
| Heavy Atoms | 67 |
| Complexity | 1750.0 |
Chemical Identifiers
| CAS Number | 6027-23-2 |
|---|---|
| SMILES | C[C@@]12CCC[C@@]([C@H]1CCC34[C@H]2CC(C(C3)C(=C)C4)O[C@H]5[C@@H](C([C@@H]([C@H](O5)CO)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)(C)C(=O)OC8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O |
| InChIKey | CHSPVGNDBQFQNR-VECHAMHWSA-N |
Product Overview
Rebaudioside A (CAS 6027-23-2), with molecular formula C44H70O23 and molecular weight 966.43 g/mol. IUPAC: [(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4S,5R,9S,10R)-12-[(2R,3R,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate.
Chemical Property Profile of Rebaudioside A
Property Insights of Rebaudioside A
The XLogP value of -2.7 indicates that Rebaudioside A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 374.0 Ų indicates high polarity, suggesting Rebaudioside A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rebaudioside A has 14 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rebaudioside A?
The CAS number of Rebaudioside A is 6027-23-2.
What is the molecular formula of Rebaudioside A?
The molecular formula of Rebaudioside A is C44H70O23.
What is the molecular weight of Rebaudioside A?
The molecular weight of Rebaudioside A is 966.43 g/mol.
Where can I buy Rebaudioside A?
You can request a quote for Rebaudioside A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rebaudioside A?
Yes, KEHONG BIO provides custom synthesis services for Rebaudioside A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.