Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key BTZQCSUZZWDBIU-UHFFFAOYSA-N
Smiles O=C(OCCOCCCC)CCCC(=O)OCCOCCCC
InChI
InChI=1/C17H32O6/c1-3-5-10-20-12-14-22-16(18)8-7-9-17(19)23-15-13-21-11-6-4-2/h3-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H32O6
Molecular Weight 332.22
AlogP 2.88
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 16.0
Polar Surface Area 71.06
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 74724-07-5
NORMAN SUSDAT
PubChem 3018537