CIS,CIS,CIS-TETRAKIS(DIPHENYLPHOSPHINOMETHYL)CYCLOPENTANE

1. Names and Identifiers

1.2 Synonyms: (1R,2R,3S,4S)-1,2,3,4-Cyclopentanetetrayltetrakis(diphenylphosphine); all-cis-1,2,3,4-Tetrakis[(diphenylphosphino)methyl]cyclopentane; CIS, CIS,CIS- TETRAKIS (DIPHENYLPHOSPHINOMETHYL)CYCLOPENTANE; cis,cis,cis-1,2,3,4-Tetrakis[(diphenylphosphino)methyl]cyclopentane; cis,cis,cis-1,2,3,4-Tetrakis[(diphenylphosphino)-methyl]cyclopentane; CIS,CIS,CIS-TETRAKIS(DIPHENYLPHOSPHINOMETHYL)CYCLOPENTANE; Phosphine [(1R,2R,3S,4S)-1,2,3,4-cyclopentanetetrakis(methylene)]tetrakis[diphenyl]; Phosphine, 1,1',1'',1'''-[(1R,2R,3S,4S)-1,2,3,4-cyclopentanetetrayl]tetrakis[1,1-diphenyl-; Phosphine, 1,1',1'',1'''-[(1R,2R,3S,4S)-1,2,3,4-cyclopentanetetrayltetrakis(methylene)]tetrakis[1,1-diphenyl-, rel-; rel-[(1R,2R,3S,4S)-1,2,3,4-Cyclopentanetetrayltetrakis(methylene)]tetrakis[diphenylphosphine]; TEDICYP;

1.6 Inchi: InChI=1/C53H46P4/c1-9-25-42(26-10-1)54(43-27-11-2-12-28-43)50-41-51(55(44-29-13-3-14-30-44)45-31-15-4-16-32-45)53(57(48-37-21-7-22-38-48)49-39-23-8-24-40-49)52(50)56(46-33-17-5-18-34-46)47-35-19-6-20-36-47/h1-40,50-53H,41H2/t50-,51+,52-,53+

1.8 Canonical Smiles: C1[C@@H]([C@@H]([C@@H]([C@@H]1P(C1=CC=CC=C1)C1=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1

1.9 Isomers Smiles: C1[C@@H]([C@@H]([C@@H]([C@@H]1CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)CP(C6=CC=CC=C6)C7=CC=CC=C7)CP(C8=CC=CC=C8)C9=CC=CC=C9

2. Properties

3. MSDS

no data available

no data available

4. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

5. Synthesis Route

333380-86-2Total: 3 Synthesis Route

150617-83-7

333380-86-2 11 Suppliers

333380-84-0

333380-86-2 11 Suppliers

6. Precursor and Product

precursor:

62349-01-3

1079-66-9

333380-84-0

150617-83-7

7. Computed Properties

Molecular Weight：862.93g/mol
Molecular Formula：C₅₇H₅₄P₄
Compound Is Canonicalized：True
Exact Mass：12.7
XLogP3-AA：862.31759971
Monoisotopic Mass：862.31759971
Complexity：1030
Rotatable Bond Count：16
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：0
Topological Polar Surface Area：0
Heavy Atom Count：：61
Defined Atom Stereocenter Count：4
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADcfB8AAOAAAAAAAAAAAAAAAAAAYAAAAAwYMGDAAAAAAABVAAAGAgAAAAADQCIEAAwAIAAACCAACBCAAACAAAgAAAIiAAAAIgIICKAERCAIAAggAAIiAcAgAAOgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==