Trisodium glycyrrhizinate
TL;DR: Trisodium glycyrrhizinate (CAS 71277-78-6) is a chemical compound with molecular formula C43H64Na3O15 and molecular weight 889.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Trisodium glycyrrhizinate, (2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxy-cyclohexoxy]-3,4-dihydroxy-tetrahyd, (2S,3S,4S,5R,6S)-6-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(1R,2R,3S,4R,5S)-5-carboxy-2,3,4-trihydroxycyclohexyl]oxy-3,4-dihydroxyoxane-2-carboxylic acid; sodium
| Molecular Formula | C43H64Na3O15 |
|---|---|
| Molecular Weight | 889.39 g/mol |
| LogP | 1.7668 |
| Topological Polar Surface Area | 257.81 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 889.3938 |
| Heavy Atoms | 61 |
| Complexity | 1746.9459 |
Chemical Identifiers
| CAS Number | 71277-78-6 |
|---|---|
| SMILES | C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@@H]7C[C@@H]([C@H]([C@@H]([C@H]7O)O)O)C(=O)O)C)(C)C(=O)O.[Na].[Na].[Na] |
Product Overview
Trisodium glycyrrhizinate (CAS 71277-78-6), with molecular formula C43H64Na3O15 and molecular weight 889.39 g/mol.
Chemical Property Profile of Trisodium glycyrrhizinate
Property Insights of Trisodium glycyrrhizinate
The XLogP value of 1.7668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trisodium glycyrrhizinate. The TPSA of 257.81 Ų indicates high polarity, suggesting Trisodium glycyrrhizinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trisodium glycyrrhizinate has 8 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trisodium glycyrrhizinate?
The CAS number of Trisodium glycyrrhizinate is 71277-78-6.
What is the molecular formula of Trisodium glycyrrhizinate?
The molecular formula of Trisodium glycyrrhizinate is C43H64Na3O15.
What is the molecular weight of Trisodium glycyrrhizinate?
The molecular weight of Trisodium glycyrrhizinate is 889.39 g/mol.
Where can I buy Trisodium glycyrrhizinate?
You can request a quote for Trisodium glycyrrhizinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trisodium glycyrrhizinate?
Yes, KEHONG BIO provides custom synthesis services for Trisodium glycyrrhizinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.