CAS 115-83-3|1,5-diheptadecyl 3,3-bis[2-(heptadecyloxy)-2-oxoethyl]pentanedioate|1,5-diheptadecyl 3,3-bis[2-(heptadecyloxy)-2-oxoethyl]pentanedioate|PENTAERYTHRITOL TETRASTEARATE

General Information

Structure

Molecular Formula

C₇₇H₁₄₈O₈

Molecular Mass

1201.99422

Exact Mass

1201.1174217

Charge

InChI

InChI=1S/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-82-73(78)69-77(70-74(79)83-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-75(80)84-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-76(81)85-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3

InChIKey

ULNXXIQDXDMEBS-UHFFFAOYSA-N

Canonic Smiles

CCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCCC

Isomeric Smiles

CCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCCC)(CC(=O)OCCCCCCCCCCCCCCCCC)CC(=O)OCCCCCCCCCCCCCCCCC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

27.878548