![[3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate structure](/static/products/822/82219-33-8.png)
[3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate
TL;DR: [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate (CAS 82219-33-8) is a chemical compound with molecular formula C21H31ClN4O13 and molecular weight 582.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate
Also Known As: [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate|[3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]|1,3,4,6-Tetra-O-acetyl-2-({N-[(2-chloroethyl)(nitroso)carbamoyl]threonyl}amino)-2-deoxyhexopyranose
| Molecular Formula | C21H31ClN4O13 |
|---|---|
| Molecular Weight | 582.16 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 582.1576 |
| Heavy Atoms | 39 |
| Complexity | 936.0 |
Chemical Identifiers
| CAS Number | 82219-33-8 |
|---|---|
| SMILES | CC(C(C(=O)NC1C(C(C(OC1OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)N(CCCl)N=O)O |
| InChIKey | VGHNMOJACADXRY-UHFFFAOYSA-N |
Product Overview
[3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate (CAS 82219-33-8), with molecular formula C21H31ClN4O13 and molecular weight 582.16 g/mol. IUPAC: [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate
Property Insights of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate
The XLogP value of -0.3 indicates that [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 226.0 Ų indicates high polarity, suggesting [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate?
The CAS number of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate is 82219-33-8.
What is the molecular formula of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate?
The molecular formula of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate is C21H31ClN4O13.
What is the molecular weight of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate?
The molecular weight of [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate is 582.16 g/mol.
Where can I buy [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate?
You can request a quote for [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,6-triacetyloxy-5-[[2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxybutanoyl]amino]oxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.