1-O-Palmitylglucuronic acid
TL;DR: 1-O-Palmitylglucuronic acid (CAS 20902-91-4) is a chemical compound with molecular formula C22H42O7 and molecular weight 418.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-hexadecoxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Pglcua, Palmitoyl glucuronide, 1-O-Palmitylglucuronic acid, 1-O-Palmityl-D-glucuronic acid, Hexadecyl hexopyranosiduronic acid
| Molecular Formula | C22H42O7 |
|---|---|
| Molecular Weight | 418.29 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 17 |
| Exact Mass | 418.29306 |
| Heavy Atoms | 29 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 20902-91-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O |
| InChIKey | QFUQXEVPTHAOHS-SXFAUFNYSA-N |
Product Overview
1-O-Palmitylglucuronic acid (CAS 20902-91-4), with molecular formula C22H42O7 and molecular weight 418.29 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-hexadecoxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 1-O-Palmitylglucuronic acid
Property Insights of 1-O-Palmitylglucuronic acid
The XLogP value of 5.9 indicates that 1-O-Palmitylglucuronic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-Palmitylglucuronic acid. Following Lipinski's Rule of Five, 1-O-Palmitylglucuronic acid has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-O-Palmitylglucuronic acid?
The CAS number of 1-O-Palmitylglucuronic acid is 20902-91-4.
What is the molecular formula of 1-O-Palmitylglucuronic acid?
The molecular formula of 1-O-Palmitylglucuronic acid is C22H42O7.
What is the molecular weight of 1-O-Palmitylglucuronic acid?
The molecular weight of 1-O-Palmitylglucuronic acid is 418.29 g/mol.
Where can I buy 1-O-Palmitylglucuronic acid?
You can request a quote for 1-O-Palmitylglucuronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-Palmitylglucuronic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-O-Palmitylglucuronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.