Tetraacetylglucosamine mustard
TL;DR: Tetraacetylglucosamine mustard (CAS 56879-48-2) is a chemical compound with molecular formula C18H27Cl2NO9 and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,5R)-3,4,6-triacetyloxy-5-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate
Also Known As: Tetraacetylglucosamine mustard, D-Glucopyranose,1,3,4,6-tetracetate, 4-18-00-07550 (Beilstein Handbook Reference), 1,3,4,6-Tetra-O-acetyl-2-(di-2-chloroethyl)amino-2-deoxy-D-glucopyranose, 2-Deoxy-2-(di-2-chloroethyl)amino-1,3,4,6-tetraacetoxy-D-glucopyranose
| Molecular Formula | C18H27Cl2NO9 |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 471.1063 |
| Heavy Atoms | 30 |
| Complexity | 612.0 |
Chemical Identifiers
| CAS Number | 56879-48-2 |
|---|---|
| SMILES | CC(=O)OCC1[C@H](C([C@H](C(O1)OC(=O)C)N(CCCl)CCCl)OC(=O)C)OC(=O)C |
| InChIKey | IBVNNVNKILNDQJ-NRXNZLANSA-N |
Product Overview
Tetraacetylglucosamine mustard (CAS 56879-48-2), with molecular formula C18H27Cl2NO9 and molecular weight 471.11 g/mol. IUPAC: [(3S,5R)-3,4,6-triacetyloxy-5-[bis(2-chloroethyl)amino]oxan-2-yl]methyl acetate.
Chemical Property Profile of Tetraacetylglucosamine mustard
Property Insights of Tetraacetylglucosamine mustard
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tetraacetylglucosamine mustard. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetraacetylglucosamine mustard. Following Lipinski's Rule of Five, Tetraacetylglucosamine mustard has 0 hydrogen bond donor(s) and 10 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 Tetraacetylglucosamine mustard?
The CAS number of Tetraacetylglucosamine mustard is 56879-48-2.
What is the molecular formula of Tetraacetylglucosamine mustard?
The molecular formula of Tetraacetylglucosamine mustard is C18H27Cl2NO9.
What is the molecular weight of Tetraacetylglucosamine mustard?
The molecular weight of Tetraacetylglucosamine mustard is 471.11 g/mol.
Where can I buy Tetraacetylglucosamine mustard?
You can request a quote for Tetraacetylglucosamine mustard directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetraacetylglucosamine mustard?
Yes, KEHONG BIO provides custom synthesis services for Tetraacetylglucosamine mustard and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.