Sucrose octanoate
TL;DR: Sucrose octanoate (CAS 42922-74-7) is a chemical compound with molecular formula C20H36O12 and molecular weight 468.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] octanoate
Also Known As: Sucrose octanoate, sucrose monooctanoate, sucrose octanoate esters, EINECS 256-002-9, alpha-D-Glucopyranoside, beta-D-fructofuranosyl, monooctanoate
| Molecular Formula | C20H36O12 |
|---|---|
| Molecular Weight | 468.22 g/mol |
| LogP | -3.0958 |
| Topological Polar Surface Area | 206.6 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 468.22067 |
| Heavy Atoms | 32 |
| Complexity | 603.1293 |
Chemical Identifiers
| CAS Number | 42922-74-7 |
|---|---|
| SMILES | CCCCCCCC(=O)O[C@@]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO |
Product Overview
Sucrose octanoate (CAS 42922-74-7), with molecular formula C20H36O12 and molecular weight 468.22 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] octanoate.
Chemical Property Profile of Sucrose octanoate
Property Insights of Sucrose octanoate
The XLogP value of -3.0958 indicates that Sucrose octanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 206.6 Ų indicates high polarity, suggesting Sucrose octanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sucrose octanoate has 8 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 Sucrose octanoate?
The CAS number of Sucrose octanoate is 42922-74-7.
What is the molecular formula of Sucrose octanoate?
The molecular formula of Sucrose octanoate is C20H36O12.
What is the molecular weight of Sucrose octanoate?
The molecular weight of Sucrose octanoate is 468.22 g/mol.
Where can I buy Sucrose octanoate?
You can request a quote for Sucrose octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sucrose octanoate?
Yes, KEHONG BIO provides custom synthesis services for Sucrose octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.