DIPENTAERYTHRITOL HEXASTEARATE

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Keyword(s): Food Contact Chemicals
Molecule Category Free-form
UNII WTF09990PK
EPA CompTox DTXSID20893577

Structure

InChI Key IQXDUKXUDQPOBC-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCC(=O)OCC(COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C118H226O13/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-111(119)126-105-117(106-127-112(120)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2,107-128-113(121)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)103-125-104-118(108-129-114(122)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4,109-130-115(123)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)110-131-116(124)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6/h7-110H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C118H226O13
Molecular Weight 1851.7
AlogP 37.8
Hydrogen Bond Acceptor 13.0
Number of Rotational Bond 112.0
Polar Surface Area 167.03
Heavy Atoms 131.0

Cross References

Resources Reference
CAS NUMBER 70969-57-2
NORMAN SUSDAT
FDA SRS WTF09990PK
PubChem 71587254
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