2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside
TL;DR: 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside (CAS 26927-44-6) is a chemical compound with molecular formula C21H22O8 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-5-benzoyloxy-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl benzoate
Also Known As: Maybridge4_001929, 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside, methyl 2,6-di-O-benzoyl-alpha-d-glucopyranoside, J1.781.021I, Methyl 2-O,6-O-dibenzoyl-alpha-D-glucopyranoside
| Molecular Formula | C21H22O8 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 1.1621 |
| Topological Polar Surface Area | 111.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.13147 |
| Heavy Atoms | 29 |
| Complexity | 805.9455 |
Chemical Identifiers
| CAS Number | 26927-44-6 |
|---|---|
| SMILES | CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O)O)OC(=O)C3=CC=CC=C3 |
Product Overview
2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside (CAS 26927-44-6), with molecular formula C21H22O8 and molecular weight 402.13 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-5-benzoyloxy-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl benzoate.
Chemical Property Profile of 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside
Property Insights of 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside
The XLogP value of 1.1621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside. The TPSA of 111.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside. Following Lipinski's Rule of Five, 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside has 2 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 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside?
The CAS number of 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside is 26927-44-6.
What is the molecular formula of 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside?
The molecular formula of 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside is C21H22O8.
What is the molecular weight of 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside?
The molecular weight of 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside is 402.13 g/mol.
Where can I buy 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside?
You can request a quote for 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Di-O-benzoyl-methyl-a-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.