![(2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid structure](/static/products/1121/112160-84-6.webp)
(2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
TL;DR: (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 112160-84-6) is a chemical compound with molecular formula C24H37NO9 and molecular weight 483.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid, beta-D-Glucopyranosiduronic acid, 2-(2-cyclopentyl-4-hydroxyphenoxy)-1-(((1,1- dimethylethyl)amino)methyl)ethyl, (S)-
| Molecular Formula | C24H37NO9 |
|---|---|
| Molecular Weight | 483.25 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 483.24683 |
| Heavy Atoms | 34 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 112160-84-6 |
|---|---|
| SMILES | CCO[C@]1([C@@]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)(O)OC2=C(C=C(C=C2)O)C3CCCC3)CNC(C)(C)C |
| InChIKey | UGRWIUQJIIIQGW-XJRISUEFSA-N |
Product Overview
(2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 112160-84-6), with molecular formula C24H37NO9 and molecular weight 483.25 g/mol. IUPAC: (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Property Insights of (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid. The TPSA of 158.0 Ų indicates high polarity, suggesting (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-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,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The CAS number of (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid is 112160-84-6.
What is the molecular formula of (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The molecular formula of (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid is C24H37NO9.
What is the molecular weight of (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
The molecular weight of (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid is 483.25 g/mol.
Where can I buy (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
You can request a quote for (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S,4S,5S,6R)-6-[(tert-butylamino)methyl]-5-(2-cyclopentyl-4-hydroxyphenoxy)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.