3-o-(Methylsulfonyl)hexopyranose
TL;DR: 3-o-(Methylsulfonyl)hexopyranose (CAS 40631-95-6) is a chemical compound with molecular formula C7H14O8S and molecular weight 258.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] methanesulfonate
Also Known As: 3-o-(methylsulfonyl)hexopyranose, D-Glucose 3-Methanesulfonate, 3-O-(Methanesulfonyl)hexopyranose, 3-O-Methanesulfonyl-D-glucopyranose, 3-O-METHYLSULFONYL-D-GLUCOPYRANOSE
| Molecular Formula | C7H14O8S |
|---|---|
| Molecular Weight | 258.04 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.04092 |
| Heavy Atoms | 16 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 40631-95-6 |
|---|---|
| SMILES | CS(=O)(=O)OC1C(C(OC(C1O)O)CO)O |
| InChIKey | SRRSBHCHONHCPP-UHFFFAOYSA-N |
Product Overview
3-o-(Methylsulfonyl)hexopyranose (CAS 40631-95-6), with molecular formula C7H14O8S and molecular weight 258.04 g/mol. IUPAC: [2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl] methanesulfonate.
Chemical Property Profile of 3-o-(Methylsulfonyl)hexopyranose
Property Insights of 3-o-(Methylsulfonyl)hexopyranose
The XLogP value of -2.5 indicates that 3-o-(Methylsulfonyl)hexopyranose is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting 3-o-(Methylsulfonyl)hexopyranose may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3-o-(Methylsulfonyl)hexopyranose has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-o-(Methylsulfonyl)hexopyranose?
The CAS number of 3-o-(Methylsulfonyl)hexopyranose is 40631-95-6.
What is the molecular formula of 3-o-(Methylsulfonyl)hexopyranose?
The molecular formula of 3-o-(Methylsulfonyl)hexopyranose is C7H14O8S.
What is the molecular weight of 3-o-(Methylsulfonyl)hexopyranose?
The molecular weight of 3-o-(Methylsulfonyl)hexopyranose is 258.04 g/mol.
Where can I buy 3-o-(Methylsulfonyl)hexopyranose?
You can request a quote for 3-o-(Methylsulfonyl)hexopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-o-(Methylsulfonyl)hexopyranose?
Yes, KEHONG BIO provides custom synthesis services for 3-o-(Methylsulfonyl)hexopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.