Stimulon
TL;DR: Stimulon (CAS 141256-04-4) is a chemical compound with molecular formula C92H148O46 and molecular weight 1988.9242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R,5R)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-5-[5-[5-[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyloctanoyl]oxy-3-hydroxy-6-methyloctanoyl]oxy-4-hydroxy-6-methyloxan-2-yl]oxycarbonyl-4-formyl-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid
Also Known As: Stimulon, QS21, QA 21V1, QA 21, QS 21
Technical Specifications
| Molecular Formula | C92H148O46 |
| Molecular Weight | 1988.9242 g/mol |
| XLogP | -2.4 |
| Topological Polar Surface Area (TPSA) | 717.0 Ų |
| Hydrogen Bond Donors | 23 |
| Hydrogen Bond Acceptors | 46 |
| Rotatable Bonds | 38 |
| Exact Mass | 1988.9242 Da |
| Heavy Atoms | 138 |
| Complexity | 4100.0 |
| SMILES | CCC(C)C(CC(CC(=O)OC(CC(CC(=O)O[C@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O[C@H]4[C@@H]([C@](CO4)(CO)O)O)O)O)O)O)OC(=O)[C@]56CCC(C[C@H]5C7=CC[C@@H]8[C@]9(CC[C@@H]([C@@]([C@@H]9CC[C@]8([C@@]7(C[C@H]6O)C)C)(C)C=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)(C)C)C)O)C(C)CC)O)O[C@H]1[C@@H]([C@H]([C@@H](O1)CO)O)O |
| InChIKey | XYVMMKXMQBIPIQ-JOMHPNDBSA-N |
Chemical Property Profile of Stimulon
Property Insights of Stimulon
The XLogP value of -2.4 indicates that Stimulon is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 717.0 Ų indicates high polarity, suggesting Stimulon may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Stimulon has 23 hydrogen bond donor(s) and 46 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Stimulon?
The CAS number of Stimulon is 141256-04-4.
What is the molecular formula of Stimulon?
The molecular formula of Stimulon is C92H148O46.
What is the molecular weight of Stimulon?
The molecular weight of Stimulon is 1988.9242 g/mol.
Where can I buy Stimulon?
You can request a quote for Stimulon directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Stimulon?
Yes, CoreyChem provides custom synthesis services for Stimulon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.