TrixiePhos Pd G3

Inquiry

Molecular Formula:

C41H44NO3PPdS

Molecular Weight:

768.25

CAS Number:

2230788-63-1

Catalog Number:

2230788-63-1

Product Information

Molecular Formula:

C41H44NO3PPdS

Molecular Weight:

768.25

Description

TrixiePhos Pd G3 is an innovative biomedical entity. This palladium-based compound can trigger apoptosis, thereby exhibiting anticancer and antitumor activity.

Synonyms

Mesyl(2-(di-tert-butylphosphino)-1,1'-binaphthyl)[2-(2'-amino-1,1'-biphenyl)]palladium(II)

IUPAC Name

ditert-butyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphanemethanesulfonic acidpalladium2-phenylaniline

Canonical SMILES

CC(C)(C)P(C1=C(C2=CC=CC=C2C=C1)C3=CC=CC4=CC=CC=C43)C(C)(C)C.CS(=O)(=O)O.C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd]

InChI

InChI=1S/C28H31P.C12H10N.CH4O3S.Pd/c1-27(2,3)29(28(4,5)6)25-19-18-21-13-8-10-16-23(21)26(25)24-17-11-14-20-12-7-9-15-22(20)2413-12-9-5-4-8-11(12)10-6-2-1-3-7-101-5(2,3)4/h7-19H,1-6H31-6,8-9H,13H21H3,(H,2,3,4)/q-1

InChI Key

PNVSELRAPYZZPG-UHFFFAOYSA-N

Melting Point

150-155 °C (decompose with no melt)

Flash Point

Not applicable

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

768.18926 g/mol

Monoisotopic Mass

768.18926 g/mol

Topological Polar Surface Area

88.8Å²

Heavy Atom Count

Formal Charge

-1

Complexity

973

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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TrixiePhos Pd G3

Product Information

Computed Properties

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