[(1,3,5,7-Tetramethyl-6-phenyl-2,4,6-trioxa-6-phosphaadamantane)-2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate
Product Information
Molecular Formula
C29H34NO6PPdS
Molecular Weight
662.04
Description
(1,3,5,7-Tetramethyl-6-phenyl-2,4,6-trioxa-6-phosphaadamantane)-2-(2'-amino-1,1'-biphenyl)]palladium(II) methanesulfonate, an intricately structured chemical compound, is a biochemical agent known for catalysis within biomedical laboratories. Its key functions extend to facilitating unique drug synthesis sequences, thereby providing potential opportunities for therapeutic research in diseases such as malignancies.
Synonyms
meCgPPh Pd G3
IUPAC Name
methanesulfonatepalladium(2+)2-phenylaniline(1R,3S)-1,3,5,7-tetramethyl-2-phenyl-4,6,9-trioxa-2-phosphatricyclo[3.3.1.13,7]decane
SMILES
CC12CC3(OC(O1)(OC(C2)(P3C4=CC=CC=C4)C)C)C.CS(=O)(=O)[O-].C1=CC=C([C-]=C1)C2=CC=CC=C2N.[Pd+2]
InChI
InChI=1S/C16H21O3P.C12H10N.CH4O3S.Pd/c1-13-10-14(2)18-16(4,17-13)19-15(3,11-13)20(14)12-8-6-5-7-9-1213-12-9-5-4-8-11(12)10-6-2-1-3-7-101-5(2,3)4/h5-9H,10-11H2,1-4H31-6,8-9H,13H21H3,(H,2,3,4)/q-1+2/p-1/t13?,14-,15+,16?,20?
InChI Key
BIJGQELPKLBCGJ-OAILJLFKSA-M
Melting Point
130-136 °C (decomposition)
Flash Point
Not applicable
Storage
2-8°C
Computed Properties
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
2
Exact Mass
661.08793 g/mol
Monoisotopic Mass
661.08793 g/mol
Topological Polar Surface Area
119Ų
Heavy Atom Count
39
Formal Charge
0
Complexity
756
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
4
Compound Is Canonicalized
Yes
