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Trihexyl phosphate

CAT: 0013-GTR19264598-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19264598-02Size:50 mg
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Description
Trihexyl phosphate causes mitochondrial damage and induces apoptosis in CHO cells. It promotes the proliferation of human breast cancer cells (MCF-7) in a dose-dependent manner and exhibits estrogen-like effects via an ERα-independent pathway.
CAS Number
2528-39-4
Field of Research
Cell Biology
Smiles
O=P (OCCCCCC) (OCCCCCC) OCCCCCC
Molecular Formula
C18H39O4P
Molecular Weight
350.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phosphoric acid, trihexyl ester
CAS Number2528-39-4
PubChem CID75666
IUPAC Nametrihexyl phosphate
Molecular FormulaC18H39O4P
Molecular Weight350.5
XLogP6.5
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Heavy Atom Count23
Formal Charge0
Complexity241
SMILES
CCCCCCOP(=O)(OCCCCCC)OCCCCCC
InChI
InChI=1S/C18H39O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h4-18H2,1-3H3
InChIKey
SFENPMLASUEABX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphoric acid, trihexyl ester
CAS: 2528-39-4
CID: 75666
Formula: C18H39O4P
MW: 350.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.5
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count18
Exact Mass350.25859672
Monoisotopic Mass350.25859672
Topological Polar Surface Area44.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity241
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

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