3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
TL;DR: 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside (CAS 308797-70-8) is a chemical compound with molecular formula C19H31NO9 and molecular weight 417.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-(3-methylbutoxy)oxan-2-yl]methyl acetate
Also Known As: [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-(3-methylbutoxy)oxan-2-yl]methyl acetate|3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside|(2R,3S,4R,5R,6R)-5-acetamido-2-(acetoxymethyl)-6-(isopentyloxy)tetrahydro-2H-pyran-3,4-diyl diacetate
| Molecular Formula | C19H31NO9 |
|---|---|
| Molecular Weight | 417.20 g/mol |
| LogP | 0.7052 |
| Topological Polar Surface Area | 126.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 417.1999 |
| Heavy Atoms | 29 |
| Complexity | 592.2289 |
Chemical Identifiers
| CAS Number | 308797-70-8 |
|---|---|
| SMILES | CC(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C |
Product Overview
3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside (CAS 308797-70-8), with molecular formula C19H31NO9 and molecular weight 417.20 g/mol. IUPAC: [(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-(3-methylbutoxy)oxan-2-yl]methyl acetate.
Chemical Property Profile of 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Property Insights of 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
The XLogP value of 0.7052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside. The TPSA of 126.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside. Following Lipinski's Rule of Five, 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside has 1 hydrogen bond donor(s) and 9 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-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside?
The CAS number of 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside is 308797-70-8.
What is the molecular formula of 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside?
The molecular formula of 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside is C19H31NO9.
What is the molecular weight of 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside?
The molecular weight of 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside is 417.20 g/mol.
Where can I buy 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside?
You can request a quote for 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside?
Yes, KEHONG BIO provides custom synthesis services for 3-methylbutyl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.