![[(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate structure](/static/products/114/114656-22-3.png)
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate
TL;DR: [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate (CAS 114656-22-3) is a chemical compound with molecular formula C12H15NO7 and molecular weight 285.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate
Also Known As: Maybridge1_004164, L-Mannononitrile, 2,6-anhydro-, 3,4,5-triacetate (en), [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate
| Molecular Formula | C12H15NO7 |
|---|---|
| Molecular Weight | 285.08 g/mol |
| LogP | -0.29612 |
| Topological Polar Surface Area | 111.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.08484 |
| Heavy Atoms | 20 |
| Complexity | 441.57703 |
Chemical Identifiers
| CAS Number | 114656-22-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1CO[C@H]([C@@H]([C@H]1OC(=O)C)OC(=O)C)C#N |
Product Overview
[(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate (CAS 114656-22-3), with molecular formula C12H15NO7 and molecular weight 285.08 g/mol. IUPAC: [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate.
Chemical Property Profile of [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate
Property Insights of [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate
The XLogP value of -0.29612 indicates that [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.92 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate. Following Lipinski's Rule of Five, [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate has 0 hydrogen bond donor(s) and 8 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 [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate?
The CAS number of [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate is 114656-22-3.
What is the molecular formula of [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate?
The molecular formula of [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate is C12H15NO7.
What is the molecular weight of [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate?
The molecular weight of [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate is 285.08 g/mol.
Where can I buy [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate?
You can request a quote for [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(3S,4S,5S,6S)-4,5-diacetyloxy-6-cyanooxan-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.