PRISTANIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5FMQ2908AP

Structure

InChI Key PAHGJZDQXIOYTH-UHFFFAOYSA-N
Smiles CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)=O
InChI
InChI=1S/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H38O2
Molecular Weight 298.29
AlogP 6.15
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 37.3
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 1189-37-3
NORMAN SUSDAT
FDA SRS 5FMQ2908AP
CONTENTS