(R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile
TL;DR: (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile (CAS 41753-54-2) 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.
(2R)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile
Also Known As: allolactose, HOLOCALIN, KST-1A4875, (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile, (Hexopyranosyloxy)(3-hydroxyphenyl)acetonitrile
| Molecular Formula | C14H17NO7 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | -0.9 |
| 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 | 411.0 |
Chemical Identifiers
| CAS Number | 41753-54-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)O)[C@H](C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | KCVXNPDAHDGXFD-GMDXDWKASA-N |
Product Overview
(R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile (CAS 41753-54-2), with molecular formula C14H17NO7 and molecular weight 311.10 g/mol. IUPAC: (2R)-2-(3-hydroxyphenyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyacetonitrile.
Chemical Property Profile of (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile
Property Insights of (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile
The XLogP value of -0.9 indicates that (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile 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 (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile?
The CAS number of (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile is 41753-54-2.
What is the molecular formula of (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile?
The molecular formula of (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile is C14H17NO7.
What is the molecular weight of (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile?
The molecular weight of (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile is 311.10 g/mol.
Where can I buy (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile?
You can request a quote for (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (R)-(beta-D-Glucopyranosyloxy)(3-hydroxyphenyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.