3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
TL;DR: 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside (CAS 159788-79-1) is a chemical compound with molecular formula C13H25NO6 and molecular weight 291.16818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]acetamide
Also Known As: 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside, N-((2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(isopentyloxy)tetrahydro-2H-pyran-3-yl)acetamide, N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-methylbutoxy)oxan-3-yl]acetamide
Technical Specifications
| Molecular Formula | C13H25NO6 |
| Molecular Weight | 291.16818 g/mol |
| XLogP | -0.4 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.16818 Da |
| Heavy Atoms | 20 |
| Complexity | 311.0 |
| SMILES | CC(C)CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)C |
| InChIKey | WCEWVPGGILKORR-SYLRKERUSA-N |
Chemical Property Profile of 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Property Insights of 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
The XLogP value of -0.4 indicates that 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside. Following Lipinski's Rule of Five, 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside?
The CAS number of 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside is 159788-79-1.
What is the molecular formula of 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside?
The molecular formula of 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside is C13H25NO6.
What is the molecular weight of 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside?
The molecular weight of 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside is 291.16818 g/mol.
Where can I buy 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside?
You can request a quote for 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside?
Yes, CoreyChem provides custom synthesis services for 3-methylbutyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.