(3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate
TL;DR: (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate (CAS 52443-07-9) is a chemical compound with molecular formula C15H19NO9 and molecular weight 357.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-triacetyloxy-6-cyanooxan-2-yl)methyl acetate
Also Known As: (3,4,5-triacetyloxy-6-cyanooxan-2-yl)methyl acetate, 2,3,4,6-Tetra-O-acetyl-b-D-galactopyranosyl cyanide, (3,4,5-triacetyloxy-6-cyano-oxan-2-yl)methyl Acetate, (2R,3S,4R,5S,6S)-2-(Acetoxymethyl)-6-cyanotetrahydro-2H-pyran-3,4,5-triyl triacetate
| Molecular Formula | C15H19NO9 |
|---|---|
| Molecular Weight | 357.11 g/mol |
| LogP | -0.36442 |
| Topological Polar Surface Area | 138.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 357.106 |
| Heavy Atoms | 25 |
| Complexity | 582.0413 |
Chemical Identifiers
| CAS Number | 52443-07-9 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)C#N)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
(3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate (CAS 52443-07-9), with molecular formula C15H19NO9 and molecular weight 357.11 g/mol. IUPAC: (3,4,5-triacetyloxy-6-cyanooxan-2-yl)methyl acetate.
Chemical Property Profile of (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate
Property Insights of (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate
The XLogP value of -0.36442 indicates that (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 138.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate. Following Lipinski's Rule of Five, (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate 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 (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate?
The CAS number of (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate is 52443-07-9.
What is the molecular formula of (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate?
The molecular formula of (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate is C15H19NO9.
What is the molecular weight of (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate?
The molecular weight of (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate is 357.11 g/mol.
Where can I buy (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate?
You can request a quote for (3,4,5-Triacetyloxy-6-cyanooxan-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 (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3,4,5-Triacetyloxy-6-cyanooxan-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.