3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)-
TL;DR: 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)- (CAS 66871-88-3) is a chemical compound with molecular formula C11H17NO6 and molecular weight 259.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile
Also Known As: Epiproacacipetalin, 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)-, (2R)-2-(beta-D-Glucopyranosyloxy)-3-methylbut-3-enenitrile, (2R)-3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile, (2R)-3-methyl-2-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxybut-3-enenitrile
| Molecular Formula | C11H17NO6 |
|---|---|
| Molecular Weight | 259.11 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.1056 |
| Heavy Atoms | 18 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 66871-88-3 |
|---|---|
| SMILES | CC(=C)[C@H](C#N)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | KVHIMSJVFJPBKJ-OVHRRVLLSA-N |
Product Overview
3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)- (CAS 66871-88-3), with molecular formula C11H17NO6 and molecular weight 259.11 g/mol. IUPAC: (2R)-3-methyl-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-3-enenitrile.
Chemical Property Profile of 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)-
Property Insights of 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)-
The XLogP value of -0.8 indicates that 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)-. Following Lipinski's Rule of Five, 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)- has 4 hydrogen bond donor(s) and 7 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 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)-?
The CAS number of 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)- is 66871-88-3.
What is the molecular formula of 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)-?
The molecular formula of 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)- is C11H17NO6.
What is the molecular weight of 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)-?
The molecular weight of 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)- is 259.11 g/mol.
Where can I buy 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)-?
You can request a quote for 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenenitrile, 2-(beta-D-glucopyranosyloxy)-3-methyl-, (R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.