(1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile
TL;DR: (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile (CAS 66575-40-4) is a chemical compound with molecular formula C12H17NO7 and molecular weight 287.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
Also Known As: Volkenin, EPITETRAPHYLLIN B, Tetraphyllin B, (1R,4R)-4-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile, (1R,4R)-1-(beta-D-glucopyranosyloxy)-4-hydroxycyclopent-2-ene-1-carbonitrile
| Molecular Formula | C12H17NO7 |
|---|---|
| Molecular Weight | 287.10 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.1005 |
| Heavy Atoms | 20 |
| Complexity | 433.0 |
Chemical Identifiers
| CAS Number | 66575-40-4 |
|---|---|
| SMILES | C1[C@H](C=C[C@]1(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O |
| InChIKey | JRCWYCAEAZEYNW-WTMYBKBASA-N |
Product Overview
(1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile (CAS 66575-40-4), with molecular formula C12H17NO7 and molecular weight 287.10 g/mol. IUPAC: (1R,4R)-4-hydroxy-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,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile
Property Insights of (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile
The XLogP value of -2.3 indicates that (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile 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 (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile?
The CAS number of (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile is 66575-40-4.
What is the molecular formula of (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile?
The molecular formula of (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile is C12H17NO7.
What is the molecular weight of (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile?
The molecular weight of (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile is 287.10 g/mol.
Where can I buy (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile?
You can request a quote for (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-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,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1R,4R)-1-(beta-D-Glucopyranosyloxy)-4-hydroxy-2-cyclopentene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.