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Tristearyl citrate

CAT: 0013-GTR19222722-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222722-01Size:25 mg
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Description
Tristearyl citrate is a bioactive small molecule ester of citric acid. It is utilized in research as a biomaterial component and plasticizer, with applications studied in vitro for drug delivery systems and in vivo for biocompatibility assessments.
CAS Number
7775-50-0
Smiles
O=C (OCCCCCCCCCCCCCCCCCC) CC (O) (C (=O) OCCCCCCCCCCCCCCCCCC) CC (=O) OCCCCCCCCCCCCCCCCCC
Molecular Formula
C60H116O7
Molecular Weight
949.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tristearyl Citrate
CAS Number7775-50-0
PubChem CID24493
IUPAC Nametrioctadecyl 2-hydroxypropane-1,2,3-tricarboxylate
Molecular FormulaC60H116O7
Molecular Weight949.6
XLogP25.5
Topological Polar Surface Area99.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count59
Heavy Atom Count67
Formal Charge0
Complexity978
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)CC(CC(=O)OCCCCCCCCCCCCCCCCCC)(C(=O)OCCCCCCCCCCCCCCCCCC)O
InChI
InChI=1S/C60H116O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-65-57(61)55-60(64,59(63)67-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)56-58(62)66-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h64H,4-56H2,1-3H3
InChIKey
UKBHVNMEMHTWQO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tristearyl Citrate
CAS: 7775-50-0
CID: 24493
Formula: C60H116O7
MW: 949.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight949.6
XLogP325.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count59
Exact Mass948.87210603
Monoisotopic Mass948.87210603
Topological Polar Surface Area99.1 Ų
Heavy Atom Count67
Formal Charge0
Complexity978
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes