CAS 113829-10-0|1-[(9E)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propan-2-yl (9E)-octadec-9-enoate|1-[(9E)-octadec-9-enoyloxy]-3-(octadecanoyloxy)propan-2-yl (9E)-octadec-9-enoate|1,2-Dioleoyl-3-stear...

General Information

Structure

Molecular Formula

C₅₇H₁₀₆O₆

Molecular Mass

887.44794

Exact Mass

886.79894111

Charge

InChI

InChI=1S/C57H106O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25,27-28,30,54H,4-24,26,29,31-53H2,1-3H3/b28-25+,30-27+

InChIKey

RYNHWWNZNIGDAQ-WGSDILPMSA-N

Canonic Smiles

CCCCCCCCCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC

Isomeric Smiles

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C/CCCCCCCC)OC(=O)CCCCCCC/C=C/CCCCCCCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

20.867716