Licorice acid
TL;DR: Licorice acid (CAS 85441-51-6) is a chemical compound with molecular formula C42H62O16Zn and molecular weight 886.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(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]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;zinc
Also Known As: Licorice acid, Licorice, Licorzinc, Licorice acid zinc, Glycyrrhizic acid zinc salt
| Molecular Formula | C42H62O16Zn |
|---|---|
| Molecular Weight | 886.33 g/mol |
| LogP | 2.2431 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 886.33295 |
| Heavy Atoms | 59 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 85441-51-6 |
|---|---|
| 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]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)C)(C)C(=O)O.[Zn] |
| InChIKey | ZZPQSQFQHIGCRC-OOFFSTKBSA-N |
Product Overview
Licorice acid (CAS 85441-51-6), with molecular formula C42H62O16Zn and molecular weight 886.33 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(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]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid;zinc.
Chemical Property Profile of Licorice acid
Property Insights of Licorice acid
The XLogP value of 2.2431 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Licorice acid. The TPSA of 267.0 Ų indicates high polarity, suggesting Licorice acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Licorice acid has 8 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 Licorice acid?
The CAS number of Licorice acid is 85441-51-6.
What is the molecular formula of Licorice acid?
The molecular formula of Licorice acid is C42H62O16Zn.
What is the molecular weight of Licorice acid?
The molecular weight of Licorice acid is 886.33 g/mol.
Where can I buy Licorice acid?
You can request a quote for Licorice acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Licorice acid?
Yes, KEHONG BIO provides custom synthesis services for Licorice acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.