Sucrose pentastearate
TL;DR: Sucrose pentastearate (CAS 54689-35-9) is a chemical compound with molecular formula C102H192O16 and molecular weight 1673.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-octadecanoyloxyoxan-2-yl]oxy-3,4-di(octadecanoyloxy)-5-(octadecanoyloxymethyl)oxolan-2-yl]methyl octadecanoate
Also Known As: Sucrose pentastearate, EINECS 259-295-1, [(2R,3R,4S,5S)-5-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-octadecanoyloxy-oxan-2-yl]oxy-4-octadecanoyloxy-2,5-bis(octadecanoyloxymethyl)oxolan-3-yl] octadecanoate, [(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-octadecanoyloxyoxan-2-yl]oxy-3,4-di(octadecanoyloxy)-5-(octadecanoyloxymethyl)oxolan-2-yl]methyl octadecanoate
| Molecular Formula | C102H192O16 |
|---|---|
| Molecular Weight | 1673.42 g/mol |
| LogP | 28.6664 |
| Topological Polar Surface Area | 219.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 90 |
| Exact Mass | 1673.421 |
| Heavy Atoms | 118 |
| Complexity | 2233.5627 |
Chemical Identifiers
| CAS Number | 54689-35-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1[C@H]([C@@H]([C@](O1)(COC(=O)CCCCCCCCCCCCCCCCC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
Product Overview
Sucrose pentastearate (CAS 54689-35-9), with molecular formula C102H192O16 and molecular weight 1673.42 g/mol. IUPAC: [(2R,3R,4S,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-octadecanoyloxyoxan-2-yl]oxy-3,4-di(octadecanoyloxy)-5-(octadecanoyloxymethyl)oxolan-2-yl]methyl octadecanoate.
Chemical Property Profile of Sucrose pentastearate
Property Insights of Sucrose pentastearate
The XLogP value of 28.6664 indicates that Sucrose pentastearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 219.88 Ų indicates high polarity, suggesting Sucrose pentastearate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sucrose pentastearate has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sucrose pentastearate?
The CAS number of Sucrose pentastearate is 54689-35-9.
What is the molecular formula of Sucrose pentastearate?
The molecular formula of Sucrose pentastearate is C102H192O16.
What is the molecular weight of Sucrose pentastearate?
The molecular weight of Sucrose pentastearate is 1673.42 g/mol.
Where can I buy Sucrose pentastearate?
You can request a quote for Sucrose pentastearate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sucrose pentastearate?
Yes, KEHONG BIO provides custom synthesis services for Sucrose pentastearate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.