(1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile
TL;DR: (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile (CAS 88824-26-4) is a chemical compound with molecular formula C12H17NO6 and molecular weight 271.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
Also Known As: Deidaclin, Tetraphyllin A Deidaclin (Kcs-4ca), TETRAPHYLLIN A_ DEIDACLIN (KCS-4CA), (1R)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile, (1r)-1-(
| Molecular Formula | C12H17NO6 |
|---|---|
| Molecular Weight | 271.11 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.1056 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 88824-26-4 |
|---|---|
| SMILES | C1C[C@@](C=C1)(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | HBCFZAXOSTUEHA-ZSOJELSESA-N |
Product Overview
(1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile (CAS 88824-26-4), with molecular formula C12H17NO6 and molecular weight 271.11 g/mol. IUPAC: (1R)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile.
Chemical Property Profile of (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile
Property Insights of (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile
The XLogP value of -1.2 indicates that (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile 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 (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile. Following Lipinski's Rule of Five, (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile 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 (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile?
The CAS number of (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile is 88824-26-4.
What is the molecular formula of (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile?
The molecular formula of (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile is C12H17NO6.
What is the molecular weight of (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile?
The molecular weight of (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile is 271.11 g/mol.
Where can I buy (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile?
You can request a quote for (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1R)-1-(beta-D-Glucopyranosyloxy)-2-cyclopentene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.