![[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate structure](/static/products/5120/5120-84-3.webp)
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate
TL;DR: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate (CAS 5120-84-3) is a chemical compound with molecular formula C28H37NO18 and molecular weight 675.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate
Also Known As: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate|Cellobiononitrile 2,2',3,3',4',5,6,6'-Octaacetate|4-O-(2,3,4,6-Tetra-O-acetyl-beta-D-glucopyranosyl)-D-glucononitrile 2,3,5,6-Tetraacetate|D-Glucononitrile, 4-O-(2,3,4,6-tetra-O-acetyl-.beta.-D-glucopyr|[2,4,5-triacetyloxy-5-cyano-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxy-pentyl] Acetate
| Molecular Formula | C28H37NO18 |
|---|---|
| Molecular Weight | 675.20 g/mol |
| LogP | -0.66352 |
| Topological Polar Surface Area | 252.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 15 |
| Exact Mass | 675.20105 |
| Heavy Atoms | 47 |
| Complexity | 1226.1748 |
Chemical Identifiers
| CAS Number | 5120-84-3 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]([C@@H](COC(=O)C)OC(=O)C)[C@@H]([C@H](C#N)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate (CAS 5120-84-3), with molecular formula C28H37NO18 and molecular weight 675.20 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate.
Chemical Property Profile of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate
Property Insights of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate
The XLogP value of -0.66352 indicates that [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 252.65 Ų indicates high polarity, suggesting [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate has 0 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate?
The CAS number of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate is 5120-84-3.
What is the molecular formula of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate?
The molecular formula of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate is C28H37NO18.
What is the molecular weight of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate?
The molecular weight of [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate is 675.20 g/mol.
Where can I buy [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate?
You can request a quote for [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-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 [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[(1S,2R,3R,4R)-1,2,4,5-tetraacetyloxy-1-cyanopentan-3-yl]oxyoxan-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.