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PET-16

CAT: 0013-GTR19277373-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277373-02Size:50 mg
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Description
PET-16 is a HSP70 inhibitor.
CAS Number
34387-64-9
Smiles
[Br-].C (#C[P+] (C=1C=CC=CC1) (C=2C=CC=CC2) C=3C=CC=CC3) C=4C=CC=CC4
Molecular Formula
C26H20BrP
Molecular Weight
443.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Triphenyl(2-phenylethynyl)phosphanium;bromide

See also: Phenylethynyltriphenylphosphonium bromide (annotation moved to).

CAS Number34387-64-9
PubChem CID24187290
IUPAC Nametriphenyl(2-phenylethynyl)phosphanium bromide
Molecular FormulaC26H20BrP
Molecular Weight443.3
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity453
SMILES
C1=CC=C(C=C1)C#C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
InChI
InChI=1S/C26H20P.BrH/c1-5-13-23(14-6-1)21-22-27(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H;1H/q+1;/p-1
InChIKey
QVTSWQFDFUAKJQ-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Triphenyl(2-phenylethynyl)phosphanium;bromide
CAS: 34387-64-9
CID: 24187290
Formula: C26H20BrP
MW: 443.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass442.04860
Monoisotopic Mass442.04860
Topological Polar Surface Area0 Ų
Heavy Atom Count28
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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