![(2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid structure](/static/products/163/163562-63-8.webp)
(2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
TL;DR: (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 163562-63-8) is a chemical compound with molecular formula C23H36O12 and molecular weight 504.22067 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid, (2S,3S,4S,5R,6R)-6-{[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid, [(3R,5S,5aR,6R,8aS,9R,10S,12R,12aS)-10-Ethoxydecahydro-3,6,9-trimethyl-3,12-epoxypyrano[4,3-j]-1,2-benzodioxepin-5-yl]beta-D-glucopyranosiduronic acid, [[(3R,5aalpha,8aalpha,12aS)-Decahydro-10beta-ethoxy-3,6alpha,9beta-trimethyl-3,12alpha-epoxypyrano[4,3-j]-1,2-benzodioxepin]-5alpha-yl]beta-D-glucopyranosiduronic acid
Technical Specifications
| Molecular Formula | C23H36O12 |
| Molecular Weight | 504.22067 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 504.22067 Da |
| Heavy Atoms | 35 |
| Complexity | 811.0 |
| SMILES | CCO[C@@H]1[C@@H]([C@@H]2CC[C@H]([C@H]3[C@]24[C@H](O1)O[C@@](C[C@@H]3O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)(OO4)C)C)C |
| InChIKey | VZSCTGYSGJUQCO-MSGSZGKXSA-N |
Chemical Property Profile of (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Property Insights of (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. The TPSA of 163.0 Ų indicates high polarity, suggesting (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
The CAS number of (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is 163562-63-8.
What is the molecular formula of (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
The molecular formula of (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is C23H36O12.
What is the molecular weight of (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
The molecular weight of (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid is 504.22067 g/mol.
Where can I buy (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
You can request a quote for (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (2S,3S,4S,5R,6R)-6-[[(1R,3S,4R,5R,8S,9R,10S,12R,13S)-10-Ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.