![4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid structure](/static/products/2887/28876-11-1.webp)
4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid
TL;DR: 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid (CAS 28876-11-1) is a chemical compound with molecular formula C14H17NO10 and molecular weight 359.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid
Also Known As: Triglochinin, 4-[cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid, (2Z,4E)-4-[Cyano(I(2)-D-glucopyranosyloxy)methylene]-2-hexenedioic acid, 4-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid
| Molecular Formula | C14H17NO10 |
|---|---|
| Molecular Weight | 359.09 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.08524 |
| Heavy Atoms | 25 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 28876-11-1 |
|---|---|
| SMILES | C(C1C(C(C(C(O1)OC(=C(CC(=O)O)C=CC(=O)O)C#N)O)O)O)O |
| InChIKey | LABCALMTQNDOAI-UHFFFAOYSA-N |
Product Overview
4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid (CAS 28876-11-1), with molecular formula C14H17NO10 and molecular weight 359.09 g/mol. IUPAC: 4-[cyano-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethylidene]hex-2-enedioic acid.
Chemical Property Profile of 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid
Property Insights of 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid
The XLogP value of -1.8 indicates that 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.0 Ų indicates high polarity, suggesting 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid?
The CAS number of 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid is 28876-11-1.
What is the molecular formula of 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid?
The molecular formula of 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid is C14H17NO10.
What is the molecular weight of 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid?
The molecular weight of 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid is 359.09 g/mol.
Where can I buy 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid?
You can request a quote for 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[Cyano(hexopyranosyloxy)methylidene]hex-2-enedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.