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Tris DBA

CAT: 0607-B7402-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B7402-10Size:10 mg
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Description
N-myristoyltransferase-1 (NMT-1) inhibitor
CAS Number
51364-51-3
Field of Research
Metabolism Transferase
Purity
0.98
Form
Dark red solid
Solubility
<10.07mg/ml in DMSO
Smiles
O=C(/C=C\C1=CC=CC=C1)/C=C\C2=CC=CC=C2.O=C(/C=C\C3=CC=CC=C3)/C=C\C4=CC=CC=C4.O=C(/C=C\C5=CC=CC=C5)/C=C/C6=CC=CC=C6.[Pd].[Pd]
Molecular Formula
C51H42O3Pd2
Molecular Weight
915.73
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

Bis(dibenzylideneacetone)palladium

Bis(1,5-diphenyl-1,4-pentadien-3-one) palladium(0) is a chemical compound of palladium. Palladium is a chemical element with the chemical symbol Pd and an atomic number of 46. It is found as a free metal alloyed with gold and other platinum group metals and in the rare minerals cooperite and polarite. (L794)

CAS Number51364-51-3
PubChem CID9811564
IUPAC Nametris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
Molecular FormulaC51H42O3Pd2
Molecular Weight915.7
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Heavy Atom Count56
Formal Charge0
Complexity272
SMILES
C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2.[Pd].[Pd]
InChI
InChI=1S/3C17H14O.2Pd/c3*18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;;/h3*1-14H;;/b3*13-11+,14-12+;;
InChIKey
CYPYTURSJDMMMP-WVCUSYJESA-N
Chemical Structure
2D Structure
2D structure of Bis(dibenzylideneacetone)palladium
CAS: 51364-51-3
CID: 9811564
Formula: C51H42O3Pd2
MW: 915.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight915.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count12
Exact Mass916.12077
Monoisotopic Mass914.12036
Topological Polar Surface Area51.2 Ų
Heavy Atom Count56
Formal Charge0
Complexity272
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count6
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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