Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C05BB02
UNII 0AWH8BFG9A
EPA CompTox DTXSID5039721

Structure

InChI Key ONJQDTZCDSESIW-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C30H62O10/c1-2-3-4-5-6-7-8-9-10-11-13-32-15-17-34-19-21-36-23-25-38-27-29-40-30-28-39-26-24-37-22-20-35-18-16-33-14-12-31/h31H,2-30H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H62O10
Molecular Weight 582.82
AlogP 4.05
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 37.0
Polar Surface Area 103.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 40.0

Cross References

Resources Reference
ChEBI 46859
ChEMBL CHEMBL1231723
DrugBank DB06811
FDA SRS 0AWH8BFG9A
KEGG C13493
PDB CE9
SureChEMBL SCHEMBL25580
ZINC ZINC000008214662