(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
TL;DR: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol (CAS 85618-21-9) is a chemical compound with molecular formula C14H28O5S and molecular weight 308.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
Also Known As: Octyl ?-D-Thioglucopyranoside, 3,4-Diacetoxyphenylacetic acid, n-octyl-beta-D-thioglucopyranoside, Octyl 1-thio-alpha-D-glucopyranoside, 1-(Octylthio)-1-deoxy-alpha-D-glucopyranose
| Molecular Formula | C14H28O5S |
|---|---|
| Molecular Weight | 308.17 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 308.16574 |
| Heavy Atoms | 20 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 85618-21-9 |
|---|---|
| SMILES | CCCCCCCCS[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | CGVLVOOFCGWBCS-RKQHYHRCSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol (CAS 85618-21-9), with molecular formula C14H28O5S and molecular weight 308.17 g/mol. IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol.
Chemical Property Profile of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
Property Insights of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol. Following Lipinski's Rule of Five, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol has 4 hydrogen bond donor(s) and 6 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 (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol?
The CAS number of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol is 85618-21-9.
What is the molecular formula of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol?
The molecular formula of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol is C14H28O5S.
What is the molecular weight of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol?
The molecular weight of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol is 308.17 g/mol.
Where can I buy (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol?
You can request a quote for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol?
Yes, KEHONG BIO provides custom synthesis services for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-octylsulfanyloxane-3,4,5-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.