RICINOLEAMIDOPRO PYL BETAINE

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

Structure

InChI Key ZMXWTYDZWPGTOM-UDFXALJUSA-O
Smiles CCCCCC[C@H](O)C/C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC(O)=O
InChI
InChI=1S/C25H48N2O4/c1-4-5-6-13-17-23(28)18-14-11-9-7-8-10-12-15-19-24(29)26-20-16-21-27(2,3)22-25(30)31/h11,14,23,28H,4-10,12-13,15-22H2,1-3H3,(H-,26,29,30,31)/p+1/b14-11+/t23-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H49N2O4
Molecular Weight 441.37
AlogP 5.5
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 21.0
Polar Surface Area 90.12
Heavy Atoms 31.0

Cross References

Resources Reference
CAS NUMBER 71850-81-2
NORMAN SUSDAT
CONTENTS