![[3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate structure](/static/products/6114/61145-39-9.webp)
[3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate
TL;DR: [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate (CAS 61145-39-9) is a chemical compound with molecular formula C16H21NO9S and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl acetate
Also Known As: Cyanomethyl 2,3,4,6-tetra-O-acetyl-1-thio-beta-D-galactopyranoside, Cyanomethyl-2,3,4,6-tetra-O-acetyl-a-D-thiomannopyranoside, [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate, [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl acetate, [(2,3,4,6-tetra-O-acetylhexopyranosyl)thio]acetonitrile
| Molecular Formula | C16H21NO9S |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 0.32628 |
| Topological Polar Surface Area | 138.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.0937 |
| Heavy Atoms | 27 |
| Complexity | 617.50244 |
Chemical Identifiers
| CAS Number | 61145-39-9 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)SCC#N)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
[3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate (CAS 61145-39-9), with molecular formula C16H21NO9S and molecular weight 403.09 g/mol. IUPAC: [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl acetate.
Chemical Property Profile of [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate
Property Insights of [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate
The XLogP value of 0.32628 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate. The TPSA of 138.22 Ų falls within the moderate polarity range, balancing permeability and solubility for [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate. Following Lipinski's Rule of Five, [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate?
The CAS number of [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate is 61145-39-9.
What is the molecular formula of [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate?
The molecular formula of [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate is C16H21NO9S.
What is the molecular weight of [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate?
The molecular weight of [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate is 403.09 g/mol.
Where can I buy [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate?
You can request a quote for [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)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 [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate?
Yes, KEHONG BIO provides custom synthesis services for [3,4,5-triacetyloxy-6-(cyanomethylsulfanyl)oxan-2-yl]methyl Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.