Dotriacolide
TL;DR: Dotriacolide (CAS 80994-06-5) is a chemical compound with molecular formula C40H76O18S4 and molecular weight 972.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-oxo-18,30-disulfooxy-32-(8-sulfooxynonyl)-1-oxacyclodotriacont-3-en-16-yl] hydrogen sulfate
Also Known As: Dotriacolide, [2-oxo-18,30-disulfooxy-32-(8-sulfooxynonyl)-1-oxacyclodotriacont-3-en-16-yl] hydrogen sulfate, Oxacyclodotriacont-3-en-2-one, 16,18,30-tris(sulfooxy)-32-(8-(sulfooxy)nonyl)-, 32-Oxo-2-[8-(sulfooxy)nonyl]-1-oxacyclodotriacont-30-ene-4,16,18-triyl tris(hydrogen sulfate)
| Molecular Formula | C40H76O18S4 |
|---|---|
| Molecular Weight | 972.39 g/mol |
| LogP | 11.1 |
| Topological Polar Surface Area | 314.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Exact Mass | 972.3915 |
| Heavy Atoms | 62 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 80994-06-5 |
|---|---|
| SMILES | CC(CCCCCCCC1CC(CCCCCCCCCCCC(CC(CCCCCCCCCCCC=CC(=O)O1)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O |
| InChIKey | YIIKXRWDWWBASM-UHFFFAOYSA-N |
Product Overview
Dotriacolide (CAS 80994-06-5), with molecular formula C40H76O18S4 and molecular weight 972.39 g/mol. IUPAC: [2-oxo-18,30-disulfooxy-32-(8-sulfooxynonyl)-1-oxacyclodotriacont-3-en-16-yl] hydrogen sulfate.
Chemical Property Profile of Dotriacolide
Property Insights of Dotriacolide
The XLogP value of 11.1 indicates that Dotriacolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 314.0 Ų indicates high polarity, suggesting Dotriacolide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dotriacolide has 4 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dotriacolide?
The CAS number of Dotriacolide is 80994-06-5.
What is the molecular formula of Dotriacolide?
The molecular formula of Dotriacolide is C40H76O18S4.
What is the molecular weight of Dotriacolide?
The molecular weight of Dotriacolide is 972.39 g/mol.
Where can I buy Dotriacolide?
You can request a quote for Dotriacolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dotriacolide?
Yes, KEHONG BIO provides custom synthesis services for Dotriacolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.