Glycyrrhizin, ammoniated
TL;DR: Glycyrrhizin, ammoniated (CAS 68083-53-4) is a chemical compound with molecular formula C42H71N3O16 and molecular weight 873.48 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;azane
Also Known As: Glycyrrhizin, ammoniated, Ammoniated glycyrrhizin, Glycyrrhizic acid triammonium salt, alpha-D-Glucopyranosiduronic acid, (3beta,20beta)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-beta-D-glucopyranuronosyl-, triammonium salt, .alpha.-D-Glucopyranosiduronic acid, (3.beta.,20.beta.)-20-carboxy-11-oxo-30-norolean-12-en-3-yl 2-O-.beta.-D-glucopyranuronosyl-, triammonium salt
| Molecular Formula | C42H71N3O16 |
|---|---|
| Molecular Weight | 873.48 g/mol |
| LogP | 2.7316 |
| Topological Polar Surface Area | 270.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 7 |
| Exact Mass | 873.48346 |
| Heavy Atoms | 61 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 68083-53-4 |
|---|---|
| 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.N.N.N |
| InChIKey | VGYQVMWYFPOAAE-DWJAGBRCSA-N |
Product Overview
Glycyrrhizin, ammoniated (CAS 68083-53-4), with molecular formula C42H71N3O16 and molecular weight 873.48 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;azane.
Chemical Property Profile of Glycyrrhizin, ammoniated
Property Insights of Glycyrrhizin, ammoniated
The XLogP value of 2.7316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glycyrrhizin, ammoniated. The TPSA of 270.0 Ų indicates high polarity, suggesting Glycyrrhizin, ammoniated may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glycyrrhizin, ammoniated has 11 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glycyrrhizin, ammoniated?
The CAS number of Glycyrrhizin, ammoniated is 68083-53-4.
What is the molecular formula of Glycyrrhizin, ammoniated?
The molecular formula of Glycyrrhizin, ammoniated is C42H71N3O16.
What is the molecular weight of Glycyrrhizin, ammoniated?
The molecular weight of Glycyrrhizin, ammoniated is 873.48 g/mol.
Where can I buy Glycyrrhizin, ammoniated?
You can request a quote for Glycyrrhizin, ammoniated directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glycyrrhizin, ammoniated?
Yes, KEHONG BIO provides custom synthesis services for Glycyrrhizin, ammoniated and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.