p-Glucosyloxymandelonitrile
TL;DR: p-Glucosyloxymandelonitrile (CAS 22660-95-3) is a chemical compound with molecular formula C14H17NO7 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile
Also Known As: p-Glucosyloxymandelonitrile, J2.765.661G, 2-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile, [4-(beta-D-Glucopyranosyloxy)phenyl](hydroxy)acetonitrile, 4-(beta-D-Glucopyranosyloxy)-alpha-hydroxybenzeneacetonitrile
| Molecular Formula | C14H17NO7 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.1005 |
| Heavy Atoms | 22 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 22660-95-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C#N)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | RSMOYVJMDHSTEV-MXNNCRBYSA-N |
Product Overview
p-Glucosyloxymandelonitrile (CAS 22660-95-3), with molecular formula C14H17NO7 and molecular weight 311.10 g/mol. IUPAC: 2-hydroxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]acetonitrile.
Chemical Property Profile of p-Glucosyloxymandelonitrile
Property Insights of p-Glucosyloxymandelonitrile
The XLogP value of -0.8 indicates that p-Glucosyloxymandelonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting p-Glucosyloxymandelonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, p-Glucosyloxymandelonitrile has 5 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 p-Glucosyloxymandelonitrile?
The CAS number of p-Glucosyloxymandelonitrile is 22660-95-3.
What is the molecular formula of p-Glucosyloxymandelonitrile?
The molecular formula of p-Glucosyloxymandelonitrile is C14H17NO7.
What is the molecular weight of p-Glucosyloxymandelonitrile?
The molecular weight of p-Glucosyloxymandelonitrile is 311.10 g/mol.
Where can I buy p-Glucosyloxymandelonitrile?
You can request a quote for p-Glucosyloxymandelonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Glucosyloxymandelonitrile?
Yes, KEHONG BIO provides custom synthesis services for p-Glucosyloxymandelonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.