(2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate
TL;DR: (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate (CAS 121313-79-9) is a chemical compound with molecular formula C40H71Na3O14S3 and molecular weight 940.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;[(E)-1-[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate
Also Known As: M-Gtf1, (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate, trisodium;[(E)-1-[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate, trisodium [(E)-1-[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate, trisodium,[(E)-1-[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate
| Molecular Formula | C40H71Na3O14S3 |
|---|---|
| Molecular Weight | 940.37 g/mol |
| LogP | 0.2953 |
| Topological Polar Surface Area | 225.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 940.3699 |
| Heavy Atoms | 60 |
| Complexity | 1431.3975 |
Chemical Identifiers
| CAS Number | 121313-79-9 |
|---|---|
| SMILES | C/C=C/CCCCCCC(CC1CCCCCCCCCCCC(CC(CCCCCCCCCCC/C=C/C(=O)O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
(2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate (CAS 121313-79-9), with molecular formula C40H71Na3O14S3 and molecular weight 940.37 g/mol. IUPAC: trisodium;[(E)-1-[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate.
Chemical Property Profile of (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate
Property Insights of (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate
The XLogP value of 0.2953 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate. The TPSA of 225.59 Ų indicates high polarity, suggesting (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate?
The CAS number of (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate is 121313-79-9.
What is the molecular formula of (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate?
The molecular formula of (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate is C40H71Na3O14S3.
What is the molecular weight of (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate?
The molecular weight of (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate is 940.37 g/mol.
Where can I buy (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate?
You can request a quote for (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate?
Yes, KEHONG BIO provides custom synthesis services for (2-Sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.