Linustatin
TL;DR: Linustatin (CAS 72229-40-4) is a chemical compound with molecular formula C16H27NO11 and molecular weight 409.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropanenitrile
Also Known As: Linustatin, Propanenitrile, SID:134223192, 2-methyl-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)propanenitrile, Propanenitrile, 2-((6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy)-2-methyl-
| Molecular Formula | C16H27NO11 |
|---|---|
| Molecular Weight | 409.16 g/mol |
| LogP | -3.8 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.15842 |
| Heavy Atoms | 28 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 72229-40-4 |
|---|---|
| SMILES | CC(C)(C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O |
| InChIKey | FERSMFQBWVBKQK-CXTTVELOSA-N |
Product Overview
Linustatin (CAS 72229-40-4), with molecular formula C16H27NO11 and molecular weight 409.16 g/mol. IUPAC: 2-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropanenitrile.
Chemical Property Profile of Linustatin
Property Insights of Linustatin
The XLogP value of -3.8 indicates that Linustatin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 202.0 Ų indicates high polarity, suggesting Linustatin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Linustatin has 7 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Linustatin?
The CAS number of Linustatin is 72229-40-4.
What is the molecular formula of Linustatin?
The molecular formula of Linustatin is C16H27NO11.
What is the molecular weight of Linustatin?
The molecular weight of Linustatin is 409.16 g/mol.
Where can I buy Linustatin?
You can request a quote for Linustatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Linustatin?
Yes, KEHONG BIO provides custom synthesis services for Linustatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.