Glucocleomin
TL;DR: Glucocleomin (CAS 36286-64-3) is a chemical compound with molecular formula C12H23NO10S2 and molecular weight 405.08 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] (3S)-3-hydroxy-3-methyl-N-sulfooxypentanimidothioate
Also Known As: Glucocleomin, 2-Hydroxy-2-methylbutyl glucosinolate, 1-S-[(3S)-3-Hydroxy-3-methyl-N-(sulfooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-3-methyl-N-sulfooxypentanimidothioate, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (3S)-3-hydroxy-3-methyl-N-sulfooxy-pentanimidothioate
| Molecular Formula | C12H23NO10S2 |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | -1.7965 |
| Topological Polar Surface Area | 186.34 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 405.07632 |
| Heavy Atoms | 25 |
| Complexity | 564.24316 |
Chemical Identifiers
| CAS Number | 36286-64-3 |
|---|---|
| SMILES | CC[C@@](C)(CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O |
Product Overview
Glucocleomin (CAS 36286-64-3), with molecular formula C12H23NO10S2 and molecular weight 405.08 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-3-methyl-N-sulfooxypentanimidothioate.
Chemical Property Profile of Glucocleomin
Property Insights of Glucocleomin
The XLogP value of -1.7965 indicates that Glucocleomin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.34 Ų indicates high polarity, suggesting Glucocleomin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucocleomin 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 Glucocleomin?
The CAS number of Glucocleomin is 36286-64-3.
What is the molecular formula of Glucocleomin?
The molecular formula of Glucocleomin is C12H23NO10S2.
What is the molecular weight of Glucocleomin?
The molecular weight of Glucocleomin is 405.08 g/mol.
Where can I buy Glucocleomin?
You can request a quote for Glucocleomin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucocleomin?
Yes, KEHONG BIO provides custom synthesis services for Glucocleomin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.