Glycyrrhizinate, disodium
TL;DR: Glycyrrhizinate, disodium (CAS 71277-79-7) is a chemical compound with molecular formula C42H60Na2O16 and molecular weight 866.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(2S,3S,4S,5R,6S)-6-[(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-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
Also Known As: Disodium glycyrrhizin, Disodium glycyrrhizate, Glycyrrhizinate, disodium, Disodium glycyrrhizinate, Glycyrrhizinic acid disodium salt
| Molecular Formula | C42H60Na2O16 |
|---|---|
| Molecular Weight | 866.37 g/mol |
| LogP | -6.4158 |
| Topological Polar Surface Area | 272.7 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 866.3677 |
| Heavy Atoms | 60 |
| Complexity | 1743.7947 |
Chemical Identifiers
| CAS Number | 71277-79-7 |
|---|---|
| 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)OC6[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.[Na+].[Na+] |
Product Overview
Glycyrrhizinate, disodium (CAS 71277-79-7), with molecular formula C42H60Na2O16 and molecular weight 866.37 g/mol. IUPAC: disodium;(2S,3S,4S,5R,6S)-6-[(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-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate.
Chemical Property Profile of Glycyrrhizinate, disodium
Property Insights of Glycyrrhizinate, disodium
The XLogP value of -6.4158 indicates that Glycyrrhizinate, disodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.7 Ų indicates high polarity, suggesting Glycyrrhizinate, disodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycyrrhizinate, disodium has 6 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glycyrrhizinate, disodium?
The CAS number of Glycyrrhizinate, disodium is 71277-79-7.
What is the molecular formula of Glycyrrhizinate, disodium?
The molecular formula of Glycyrrhizinate, disodium is C42H60Na2O16.
What is the molecular weight of Glycyrrhizinate, disodium?
The molecular weight of Glycyrrhizinate, disodium is 866.37 g/mol.
Where can I buy Glycyrrhizinate, disodium?
You can request a quote for Glycyrrhizinate, disodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycyrrhizinate, disodium?
Yes, KEHONG BIO provides custom synthesis services for Glycyrrhizinate, disodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.