1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol
TL;DR: 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol (CAS 20706-79-0) is a chemical compound with molecular formula C12H26O18S6 and molecular weight 649.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentakis(methylsulfonyloxy)hexyl methanesulfonate
Also Known As: KST-1B1595, 1,2,3,4,5,6-hexakis-o-(methylsulfonyl)hexitol, 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol, 2,3,4,5,6-pentakis(methylsulfonyloxy)hexyl methanesulfonate
| Molecular Formula | C12H26O18S6 |
|---|---|
| Molecular Weight | 649.94 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 311.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Exact Mass | 649.94434 |
| Heavy Atoms | 36 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 20706-79-0 |
|---|---|
| SMILES | CS(=O)(=O)OCC(C(C(C(COS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C)OS(=O)(=O)C |
| InChIKey | KXERIKLHEGRYNF-UHFFFAOYSA-N |
Product Overview
1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol (CAS 20706-79-0), with molecular formula C12H26O18S6 and molecular weight 649.94 g/mol. IUPAC: 2,3,4,5,6-pentakis(methylsulfonyloxy)hexyl methanesulfonate.
Chemical Property Profile of 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol
Property Insights of 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol
The XLogP value of -3.0 indicates that 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 311.0 Ų indicates high polarity, suggesting 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol 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 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol?
The CAS number of 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol is 20706-79-0.
What is the molecular formula of 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol?
The molecular formula of 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol is C12H26O18S6.
What is the molecular weight of 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol?
The molecular weight of 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol is 649.94 g/mol.
Where can I buy 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol?
You can request a quote for 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4,5,6-Hexa-O-(methanesulfonyl)hexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.