Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt
TL;DR: Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt (CAS 17005-27-5) is a chemical compound with molecular formula C57H107Na3O18S3 and molecular weight 1244.63 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;[18-[1,3-bis(10-sulfonatooxyoctadecanoyloxy)propan-2-yloxy]-18-oxooctadecan-9-yl] sulfate
Also Known As: Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt, 10-Hydroxyoctadecanoic acid, 1,2,3-propanetriyl ester, trisulfate, trisodium salt, Octadecanoic acid, 10-(sulfooxy)-, 1,1',1''-(1,2,3-propanetriyl) ester, sodium salt (1:3), trisodium propane-1,2,3-triyltris(oxy-18-oxooctadecane-18,9-diyl) trisulfate, Octadecanoic acid, 10-hydroxy-, triester with glycerol, tris(hydrogen sulfate), trisodium salt
| Molecular Formula | C57H107Na3O18S3 |
|---|---|
| Molecular Weight | 1244.63 g/mol |
| LogP | 5.147 |
| Topological Polar Surface Area | 303.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 59 |
| Exact Mass | 1244.6312 |
| Heavy Atoms | 81 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 17005-27-5 |
|---|---|
| SMILES | CCCCCCCCC(CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC(CCCCCCCC)OS(=O)(=O)[O-])OC(=O)CCCCCCCCC(CCCCCCCC)OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | VWBPLZUSCZPZRG-UHFFFAOYSA-K |
Product Overview
Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt (CAS 17005-27-5), with molecular formula C57H107Na3O18S3 and molecular weight 1244.63 g/mol. IUPAC: trisodium;[18-[1,3-bis(10-sulfonatooxyoctadecanoyloxy)propan-2-yloxy]-18-oxooctadecan-9-yl] sulfate.
Chemical Property Profile of Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt
Property Insights of Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt
The XLogP value of 5.147 indicates that Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 303.0 Ų indicates high polarity, suggesting Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt has 0 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 Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt?
The CAS number of Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt is 17005-27-5.
What is the molecular formula of Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt?
The molecular formula of Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt is C57H107Na3O18S3.
What is the molecular weight of Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt?
The molecular weight of Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt is 1244.63 g/mol.
Where can I buy Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt?
You can request a quote for Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, 10-(sulfooxy)-, 1,2,3-propanetriyl ester, trisodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.