Glucoconringiin
TL;DR: Glucoconringiin (CAS 28463-28-7) is a chemical compound with molecular formula C11H21NO10S2 and molecular weight 391.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-3-methyl-N-sulfooxybutanimidothioate
Also Known As: Glucoconringiin, 2-Hydroxy-2-methylpropyl glucosinolate, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-3-methyl-N-sulfooxybutanimidothioate, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3-hydroxy-3-methyl-N-sulfooxy-butanimidothioate, 1-S-[3-Hydroxy-3-methyl-N-(sulfooxy)butanimidoyl]-1-thiohexopyranose
| Molecular Formula | C11H21NO10S2 |
|---|---|
| Molecular Weight | 391.06 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 220.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.0607 |
| Heavy Atoms | 24 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 28463-28-7 |
|---|---|
| SMILES | CC(C)(CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
| InChIKey | DYAQCRHEYVANDL-HOQQJHGQSA-N |
Product Overview
Glucoconringiin (CAS 28463-28-7), with molecular formula C11H21NO10S2 and molecular weight 391.06 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3-hydroxy-3-methyl-N-sulfooxybutanimidothioate.
Chemical Property Profile of Glucoconringiin
Property Insights of Glucoconringiin
The XLogP value of -1.9 indicates that Glucoconringiin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting Glucoconringiin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucoconringiin has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glucoconringiin?
The CAS number of Glucoconringiin is 28463-28-7.
What is the molecular formula of Glucoconringiin?
The molecular formula of Glucoconringiin is C11H21NO10S2.
What is the molecular weight of Glucoconringiin?
The molecular weight of Glucoconringiin is 391.06 g/mol.
Where can I buy Glucoconringiin?
You can request a quote for Glucoconringiin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucoconringiin?
Yes, KEHONG BIO provides custom synthesis services for Glucoconringiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.