Trilithium glycyrrhizinate
TL;DR: Trilithium glycyrrhizinate (CAS 134885-71-5) is a chemical compound with molecular formula C42H59Li3O16 and molecular weight 840.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trilithium;6-[2-carboxylato-6-[(11-carboxylato-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-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Also Known As: Trilithium glycyrrhizinate, Glycyrrhizic acid trilithium salt, alpha-D-Glucopyranosiduronic acid, (3-beta,20-beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 4-O-beta-D-glucopyranuronosyl-, trilithium salt, Trilithium 2-[(4-O-hexopyranuronosylhexopyranuronosyl)oxy]-11-oxoolean-12-en-29-oate, trilithium 6-[2-carboxylato-6-[(11-carboxylato-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-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
| Molecular Formula | C42H59Li3O16 |
|---|---|
| Molecular Weight | 840.43 g/mol |
| LogP | -10.7465 |
| Topological Polar Surface Area | 275.53 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 840.42834 |
| Heavy Atoms | 61 |
| Complexity | 1748.4014 |
Chemical Identifiers
| CAS Number | 134885-71-5 |
|---|---|
| SMILES | [Li+].[Li+].[Li+].CC1(CC(CC2(C1CCC3(C2C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C)OC6C(C(C(C(O6)C(=O)[O-])OC7C(C(C(C(O7)C(=O)[O-])O)O)O)O)O)C |
Product Overview
Trilithium glycyrrhizinate (CAS 134885-71-5), with molecular formula C42H59Li3O16 and molecular weight 840.43 g/mol. IUPAC: trilithium;6-[2-carboxylato-6-[(11-carboxylato-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-2-yl)oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate.
Chemical Property Profile of Trilithium glycyrrhizinate
Property Insights of Trilithium glycyrrhizinate
The XLogP value of -10.7465 indicates that Trilithium glycyrrhizinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 275.53 Ų indicates high polarity, suggesting Trilithium glycyrrhizinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trilithium glycyrrhizinate has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trilithium glycyrrhizinate?
The CAS number of Trilithium glycyrrhizinate is 134885-71-5.
What is the molecular formula of Trilithium glycyrrhizinate?
The molecular formula of Trilithium glycyrrhizinate is C42H59Li3O16.
What is the molecular weight of Trilithium glycyrrhizinate?
The molecular weight of Trilithium glycyrrhizinate is 840.43 g/mol.
Where can I buy Trilithium glycyrrhizinate?
You can request a quote for Trilithium glycyrrhizinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trilithium glycyrrhizinate?
Yes, KEHONG BIO provides custom synthesis services for Trilithium glycyrrhizinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.