octyl 2-O-mannopyranosylmannopyranoside
TL;DR: octyl 2-O-mannopyranosylmannopyranoside (CAS 67398-42-9) is a chemical compound with molecular formula C20H38O11 and molecular weight 454.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Octyl 2-O-man-man, Octyl 2-O-mannopyranosylmannopyranoside, Octyl 2-O-hexopyranosylhexopyranoside, Octyl 2-O-mannopyranosyl-D-mannopyranoside, octyl 2-o-
| Molecular Formula | C20H38O11 |
|---|---|
| Molecular Weight | 454.24 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 12 |
| Exact Mass | 454.24142 |
| Heavy Atoms | 31 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 67398-42-9 |
|---|---|
| SMILES | CCCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | PIGYTUUYAIMFHS-YMCKZNNWSA-N |
Product Overview
octyl 2-O-mannopyranosylmannopyranoside (CAS 67398-42-9), with molecular formula C20H38O11 and molecular weight 454.24 g/mol. IUPAC: (2R,3S,4S,5S,6R)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of octyl 2-O-mannopyranosylmannopyranoside
Property Insights of octyl 2-O-mannopyranosylmannopyranoside
The XLogP value of -0.2 indicates that octyl 2-O-mannopyranosylmannopyranoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 179.0 Ų indicates high polarity, suggesting octyl 2-O-mannopyranosylmannopyranoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, octyl 2-O-mannopyranosylmannopyranoside has 7 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 octyl 2-O-mannopyranosylmannopyranoside?
The CAS number of octyl 2-O-mannopyranosylmannopyranoside is 67398-42-9.
What is the molecular formula of octyl 2-O-mannopyranosylmannopyranoside?
The molecular formula of octyl 2-O-mannopyranosylmannopyranoside is C20H38O11.
What is the molecular weight of octyl 2-O-mannopyranosylmannopyranoside?
The molecular weight of octyl 2-O-mannopyranosylmannopyranoside is 454.24 g/mol.
Where can I buy octyl 2-O-mannopyranosylmannopyranoside?
You can request a quote for octyl 2-O-mannopyranosylmannopyranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for octyl 2-O-mannopyranosylmannopyranoside?
Yes, KEHONG BIO provides custom synthesis services for octyl 2-O-mannopyranosylmannopyranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.