1,4:3,6-DIANHYDRO-D-GLUCITOL MONOOLEATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form
UNII R3BZD31H24

Structure

InChI Key JDRAOGVAQOVDEB-ANOHMWSOSA-N
Smiles CCCCCCCCC=C/CCCCCCCC(=O)O[C@H]1CO[C@@H]2[C@H](O)CO[C@H]12
InChI
InChI=1/C24H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)29-21-19-28-23-20(25)18-27-24(21)23/h9-10,20-21,23-25H,2-8,11-19H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H42O5
Molecular Weight 410.3
AlogP 5.09
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 64.99
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 28454-96-8
NORMAN SUSDAT
FDA SRS R3BZD31H24
CONTENTS