Methyl 2,3,6-tri-o-benzoylhexopyranoside
TL;DR: Methyl 2,3,6-tri-o-benzoylhexopyranoside (CAS 3396-68-7) is a chemical compound with molecular formula C28H26O9 and molecular weight 506.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dibenzoyloxy-3-hydroxy-6-methoxyoxan-2-yl)methyl benzoate
Also Known As: methyl 2,3,6-tri-o-benzoylhexopyranoside, Methyl 2,3,6-tri-O-benzoyl-a-D-mannopyranoside, Methyl 2,3,6-tri-O-benzoyl-a-D-galactopyranoside, Methyl 2,3,6-Tri-O-benzoyl-alpha-D-galactopyranoside, N1-(4-chloro-2-methylphenyl)-2-hydroxyiminoacetamide
| Molecular Formula | C28H26O9 |
|---|---|
| Molecular Weight | 506.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 506.15768 |
| Heavy Atoms | 37 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 3396-68-7 |
|---|---|
| SMILES | COC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4 |
| InChIKey | WXFFEILSURAFKL-UHFFFAOYSA-N |
Product Overview
Methyl 2,3,6-tri-o-benzoylhexopyranoside (CAS 3396-68-7), with molecular formula C28H26O9 and molecular weight 506.16 g/mol. IUPAC: (4,5-dibenzoyloxy-3-hydroxy-6-methoxyoxan-2-yl)methyl benzoate.
Chemical Property Profile of Methyl 2,3,6-tri-o-benzoylhexopyranoside
Property Insights of Methyl 2,3,6-tri-o-benzoylhexopyranoside
The XLogP value of 4.1 indicates that Methyl 2,3,6-tri-o-benzoylhexopyranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2,3,6-tri-o-benzoylhexopyranoside. Following Lipinski's Rule of Five, Methyl 2,3,6-tri-o-benzoylhexopyranoside has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2,3,6-tri-o-benzoylhexopyranoside?
The CAS number of Methyl 2,3,6-tri-o-benzoylhexopyranoside is 3396-68-7.
What is the molecular formula of Methyl 2,3,6-tri-o-benzoylhexopyranoside?
The molecular formula of Methyl 2,3,6-tri-o-benzoylhexopyranoside is C28H26O9.
What is the molecular weight of Methyl 2,3,6-tri-o-benzoylhexopyranoside?
The molecular weight of Methyl 2,3,6-tri-o-benzoylhexopyranoside is 506.16 g/mol.
Where can I buy Methyl 2,3,6-tri-o-benzoylhexopyranoside?
You can request a quote for Methyl 2,3,6-tri-o-benzoylhexopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,3,6-tri-o-benzoylhexopyranoside?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,3,6-tri-o-benzoylhexopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.