Atractyloside
TL;DR: Atractyloside (CAS 17754-44-8) is a chemical compound with molecular formula C30H44K2O16S2 and molecular weight 802.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;[(2R,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate
Also Known As: atractyloside, Attrattiloside, Atractylate, Acid, Atractylic, Potassium atractylate
| Molecular Formula | C30H44K2O16S2 |
|---|---|
| Molecular Weight | 802.13 g/mol |
| LogP | -5.0102 |
| Topological Polar Surface Area | 272.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 802.13446 |
| Heavy Atoms | 50 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 17754-44-8 |
|---|---|
| SMILES | CC(C)CC(=O)O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2C[C@H]([C@H]3CC[C@@]45C[C@@H](CC[C@H]4[C@@]3(C2)C)C(=C)[C@@H]5O)C(=O)O)CO)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[K+].[K+] |
| InChIKey | IUCNQFHEWLYECJ-FNAJZLPOSA-L |
Product Overview
Atractyloside (CAS 17754-44-8), with molecular formula C30H44K2O16S2 and molecular weight 802.13 g/mol. IUPAC: dipotassium;[(2R,3R,4R,5R,6R)-2-[[(1R,4R,5R,7R,9R,10S,13R,15S)-5-carboxy-15-hydroxy-9-methyl-14-methylidene-7-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]-6-(hydroxymethyl)-3-(3-methylbutanoyloxy)-5-sulfonatooxyoxan-4-yl] sulfate.
Chemical Property Profile of Atractyloside
Property Insights of Atractyloside
The XLogP value of -5.0102 indicates that Atractyloside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 272.0 Ų indicates high polarity, suggesting Atractyloside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Atractyloside has 3 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 Atractyloside?
The CAS number of Atractyloside is 17754-44-8.
What is the molecular formula of Atractyloside?
The molecular formula of Atractyloside is C30H44K2O16S2.
What is the molecular weight of Atractyloside?
The molecular weight of Atractyloside is 802.13 g/mol.
Where can I buy Atractyloside?
You can request a quote for Atractyloside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Atractyloside?
Yes, KEHONG BIO provides custom synthesis services for Atractyloside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.