1,4:3,6-Dianhydro-D-glucitol monooleate
TL;DR: 1,4:3,6-Dianhydro-D-glucitol monooleate (CAS 28454-96-8) is a chemical compound with molecular formula C24H42O5 and molecular weight 410.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6S)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (E)-octadec-9-enoate
Also Known As: Isosorbide oleate, Mannide monooleate, EINECS 249-031-3, 1,4:3,6-Dianhydro-D-glucitol monooleate, [(6S)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (E)-octadec-9-enoate
| Molecular Formula | C24H42O5 |
|---|---|
| Molecular Weight | 410.30 g/mol |
| LogP | 5.0942 |
| Topological Polar Surface Area | 64.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 410.30322 |
| Heavy Atoms | 29 |
| Complexity | 464.18738 |
Chemical Identifiers
| CAS Number | 28454-96-8 |
|---|---|
| SMILES | CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H]1COC2C1OCC2O |
Product Overview
1,4:3,6-Dianhydro-D-glucitol monooleate (CAS 28454-96-8), with molecular formula C24H42O5 and molecular weight 410.30 g/mol. IUPAC: [(6S)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] (E)-octadec-9-enoate.
Chemical Property Profile of 1,4:3,6-Dianhydro-D-glucitol monooleate
Property Insights of 1,4:3,6-Dianhydro-D-glucitol monooleate
The XLogP value of 5.0942 indicates that 1,4:3,6-Dianhydro-D-glucitol monooleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4:3,6-Dianhydro-D-glucitol monooleate. Following Lipinski's Rule of Five, 1,4:3,6-Dianhydro-D-glucitol monooleate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4:3,6-Dianhydro-D-glucitol monooleate?
The CAS number of 1,4:3,6-Dianhydro-D-glucitol monooleate is 28454-96-8.
What is the molecular formula of 1,4:3,6-Dianhydro-D-glucitol monooleate?
The molecular formula of 1,4:3,6-Dianhydro-D-glucitol monooleate is C24H42O5.
What is the molecular weight of 1,4:3,6-Dianhydro-D-glucitol monooleate?
The molecular weight of 1,4:3,6-Dianhydro-D-glucitol monooleate is 410.30 g/mol.
Where can I buy 1,4:3,6-Dianhydro-D-glucitol monooleate?
You can request a quote for 1,4:3,6-Dianhydro-D-glucitol monooleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4:3,6-Dianhydro-D-glucitol monooleate?
Yes, KEHONG BIO provides custom synthesis services for 1,4:3,6-Dianhydro-D-glucitol monooleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.