Glucoerucin
TL;DR: Glucoerucin (CAS 15592-37-7) is a chemical compound with molecular formula C12H23NO9S3 and molecular weight 421.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfanyl-N-sulfooxypentanimidothioate
Also Known As: Glucoerucin, 4-methylthiobutyl glucosinolate, Glucoerucin (4-Methylthiobutyl-GS), EINECS 244-689-8, SID:135727749
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H23NO9S3 |
| Molecular Weight | 421.0535 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 225.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 421.0535 Da |
| Heavy Atoms | 25 |
| Complexity | 524.0 |
| SMILES | CSCCCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | GKUMMDFLKGFCKH-URYVQPGZSA-N |
Chemical Property Profile of Glucoerucin
Property Insights of Glucoerucin
The XLogP value of -0.5 indicates that Glucoerucin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting Glucoerucin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucoerucin has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Glucoerucin?
The CAS number of Glucoerucin is 15592-37-7.
What is the molecular formula of Glucoerucin?
The molecular formula of Glucoerucin is C12H23NO9S3.
What is the molecular weight of Glucoerucin?
The molecular weight of Glucoerucin is 421.0535 g/mol.
Where can I buy Glucoerucin?
You can request a quote for Glucoerucin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Glucoerucin?
Yes, CoreyChem provides custom synthesis services for Glucoerucin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.