9004-95-9 Purity
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Specification
The molecular formula of Pentaerythrityl Tetrastearate is C77H148O8.
The molecular weight of Pentaerythrityl Tetrastearate is 1202.0 g/mol.
The IUPAC name of Pentaerythrityl Tetrastearate is [3-octadecanoyloxy-2,2-bis(octadecanoyloxymethyl)propyl] octadecanoate.
The InChI of Pentaerythrityl Tetrastearate is InChI=1S/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3.
The InChIKey of Pentaerythrityl Tetrastearate is OCKWAZCWKSMKNC-UHFFFAOYSA-N.
The Canonical SMILES of Pentaerythrityl Tetrastearate is CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.
The CAS number of Pentaerythrityl Tetrastearate is 115-83-3.
The XLogP3-AA value of Pentaerythrityl Tetrastearate is 33.5.
The hydrogen bond donor count of Pentaerythrityl Tetrastearate is 0.