Keyword(s): Surfactants
Molecule Category Free-form

Structure

InChI Key ZKPHJDNVZBAFFL-UHFFFAOYSA-N
Smiles NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C68H139NO25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-70-21-23-72-25-27-74-29-31-76-33-35-78-37-39-80-41-43-82-45-47-84-49-51-86-53-55-88-57-59-90-61-63-92-65-67-94-68-66-93-64-62-91-60-58-89-56-54-87-52-50-85-48-46-83-44-42-81-40-38-79-36-34-77-32-30-75-28-26-73-24-22-71-20-18-69/h2-69H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C68H139NO25
Molecular Weight 1369.96
AlogP 6.62
Hydrogen Bond Acceptor 26.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 91.0
Polar Surface Area 256.77
Heavy Atoms 94.0

Cross References

Resources Reference
NORMAN SUSDAT