Gummiferin
TL;DR: Gummiferin (CAS 35988-26-2) is a chemical compound with molecular formula C31H44K2O18S2 and molecular weight 846.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;(1S,9R,13R,15R)-15-hydroxy-7-[6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylate
Also Known As: Gummiferin, Carboxyatractyloside, CAT dipotassium salt, C-ATR, Dipotassium carboxyatractyloside
| Molecular Formula | C31H44K2O18S2 |
|---|---|
| Molecular Weight | 846.12 g/mol |
| LogP | -7.54 |
| Topological Polar Surface Area | 309.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 11 |
| Exact Mass | 846.1243 |
| Heavy Atoms | 53 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 35988-26-2 |
|---|---|
| SMILES | CC(C)CC(=O)OC1C(C(C(OC1OC2C[C@@]3(C4CC[C@@H]5C[C@]4(CCC3C(C2)(C(=O)[O-])C(=O)[O-])[C@@H](C5=C)O)C)CO)OS(=O)(=O)O)OS(=O)(=O)O.[K+].[K+] |
| InChIKey | FPJGZZYAZUKPAD-NBKMCPERSA-L |
Product Overview
Gummiferin (CAS 35988-26-2), with molecular formula C31H44K2O18S2 and molecular weight 846.12 g/mol. IUPAC: dipotassium;(1S,9R,13R,15R)-15-hydroxy-7-[6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-4,5-disulfooxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5,5-dicarboxylate.
Chemical Property Profile of Gummiferin
Property Insights of Gummiferin
The XLogP value of -7.54 indicates that Gummiferin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 309.0 Ų indicates high polarity, suggesting Gummiferin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gummiferin has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gummiferin?
The CAS number of Gummiferin is 35988-26-2.
What is the molecular formula of Gummiferin?
The molecular formula of Gummiferin is C31H44K2O18S2.
What is the molecular weight of Gummiferin?
The molecular weight of Gummiferin is 846.12 g/mol.
Where can I buy Gummiferin?
You can request a quote for Gummiferin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gummiferin?
Yes, KEHONG BIO provides custom synthesis services for Gummiferin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.