Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside
TL;DR: Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside (CAS 5181-74-8) is a chemical compound with molecular formula C23H26O12S2 and molecular weight 558.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-benzoyloxy-2-methoxy-5-methylsulfonyloxy-6-(methylsulfonyloxymethyl)oxan-4-yl] benzoate
Also Known As: Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside, [3-benzoyloxy-2-methoxy-5-methylsulfonyloxy-6-(methylsulfonyloxymethyl)oxan-4-yl] benzoate
| Molecular Formula | C23H26O12S2 |
|---|---|
| Molecular Weight | 558.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 558.08655 |
| Heavy Atoms | 37 |
| Complexity | 972.0 |
Chemical Identifiers
| CAS Number | 5181-74-8 |
|---|---|
| SMILES | COC1C(C(C(C(O1)COS(=O)(=O)C)OS(=O)(=O)C)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3 |
| InChIKey | RYLONXBOCCXZDP-UHFFFAOYSA-N |
Product Overview
Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside (CAS 5181-74-8), with molecular formula C23H26O12S2 and molecular weight 558.09 g/mol. IUPAC: [3-benzoyloxy-2-methoxy-5-methylsulfonyloxy-6-(methylsulfonyloxymethyl)oxan-4-yl] benzoate.
Chemical Property Profile of Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside
Property Insights of Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside. The TPSA of 175.0 Ų indicates high polarity, suggesting Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside?
The CAS number of Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside is 5181-74-8.
What is the molecular formula of Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside?
The molecular formula of Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside is C23H26O12S2.
What is the molecular weight of Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside?
The molecular weight of Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside is 558.09 g/mol.
Where can I buy Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside?
You can request a quote for Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3-di-O-benzoyl-4,6-di-O-(methanesulfonyl)hexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.