1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate
TL;DR: 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate (CAS 6636-80-2) is a chemical compound with molecular formula C44H86O17 and molecular weight 886.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxynonadecane-1,2,3-tricarboxylic acid);trihydrate
Also Known As: Agaricic acid sesquihydrate, 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate, 2-hydroxynonadecane-1,2,3-tricarboxylic Acid Trihydrate, 3-c-carboxy-2,4-dideoxy-2-hexadecylpentaric acid hydrate(2:3), 3-C-Carboxy-2,4-dideoxy-2-hexadecylpentaric acid--water (2/3)
| Molecular Formula | C44H86O17 |
|---|---|
| Molecular Weight | 886.59 g/mol |
| LogP | 7.2239 |
| Topological Polar Surface Area | 267.0 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 40 |
| Exact Mass | 886.5865 |
| Heavy Atoms | 61 |
| Complexity | 478.0 |
Chemical Identifiers
| CAS Number | 6636-80-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O.CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O.O.O.O |
| InChIKey | NLHBFRGAFQAFLM-UHFFFAOYSA-N |
Product Overview
1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate (CAS 6636-80-2), with molecular formula C44H86O17 and molecular weight 886.59 g/mol. IUPAC: bis(2-hydroxynonadecane-1,2,3-tricarboxylic acid);trihydrate.
Chemical Property Profile of 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate
Property Insights of 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate
The XLogP value of 7.2239 indicates that 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 267.0 Ų indicates high polarity, suggesting 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate has 11 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate?
The CAS number of 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate is 6636-80-2.
What is the molecular formula of 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate?
The molecular formula of 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate is C44H86O17.
What is the molecular weight of 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate?
The molecular weight of 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate is 886.59 g/mol.
Where can I buy 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate?
You can request a quote for 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Nonadecanetricarboxylic acid, 2-hydroxy-, sesquihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.