2-HYDROXYPROPYL RICINOLEATE

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

Structure

InChI Key JZSMZIOJUHECHW-GTJZZHROSA-N
Smiles CCCCCC[C@@H](O)CC=C/CCCCCCCC(=O)OCC(C)O
InChI
InChI=1/C21H40O4/c1-3-4-5-12-15-20(23)16-13-10-8-6-7-9-11-14-17-21(24)25-18-19(2)22/h10,13,19-20,22-23H,3-9,11-12,14-18H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H40O4
Molecular Weight 356.29
AlogP 4.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 17.0
Polar Surface Area 66.76
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 142-56-3
NORMAN SUSDAT
CONTENTS