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    CAS 147118-35-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 147118-35-2, Methyl (3r)-3-(tert-butyldimethylsilyloxy)-5-oxo-6-triphenylphosphoranylidene hexanoate, (r)-methyl 3-((tert-butyldimethylsilyl)oxy)-5-oxo-6-(triphenylphosphoranylidene)hexanoate, Methyl (3r)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-lambda5-phosphanylidene)hexanoate, Methyl (3r)-3-(tert-butyldimethylsilanyloxy)-5-oxo-6-(triphenylphosphanylidene)hexanoate, Methyl (3r)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenylphosphanylidene)hexanoate
    Molecular Formula
    C31H39O4PSi
    Molecular Weight
    534.7  g/mol
    InChI Key
    LKFANOWXMJEZDI-AREMUKBSSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-5-phosphanylidene)hexanoate
    2.1.2 InChI
    InChI=1S/C31H39O4PSi/c1-31(2,3)37(5,6)35-26(23-30(33)34-4)22-25(32)24-36(27-16-10-7-11-17-27,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-21,24,26H,22-23H2,1-6H3/t26-/m1/s1
    2.1.3 InChI Key
    LKFANOWXMJEZDI-AREMUKBSSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)[Si](C)(C)OC(CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC
    2.1.5 Isomeric SMILES
    CC(C)(C)[Si](C)(C)O[C@H](CC(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 147118-35-2

    2. Methyl (3r)-3-(tert-butyldimethylsilyloxy)-5-oxo-6-triphenylphosphoranylidene Hexanoate

    3. (r)-methyl 3-((tert-butyldimethylsilyl)oxy)-5-oxo-6-(triphenylphosphoranylidene)hexanoate

    4. Methyl (3r)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-lambda5-phosphanylidene)hexanoate

    5. Methyl (3r)-3-(tert-butyldimethylsilanyloxy)-5-oxo-6-(triphenylphosphanylidene)hexanoate

    6. Methyl (3r)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenylphosphanylidene)hexanoate

    7. Methyl (3r)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxo-6-(triphenyl-?^{5}-phosphanylidene)hexanoate

    8. Schembl2345036

    9. Dtxsid701114586

    10. Bcp10932

    11. Mfcd09753068

    12. Akos015896175

    13. Zinc169744991

    14. Am84433

    15. As-15931

    16. Hexanoic Acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-oxo-6-(triphenylphosphoranylidene)-, Methyl Ester, (3r)-

    17. Db-038002

    18. Cs-0148491

    19. A24818

    20. 118m352

    21. J-521706

    22. (3r)-3-(tert-butyldimethylsilyloxy)-5-oxo-6-triphenylphosphoranylidenehexanoate Methyl Ester

    23. Methyl (r)-3-((tert-butyldimethylsilyl)oxy)-5-oxo-6-(triphenyl-l5-phosphanylidene)hexanoate

    24. Methyl(3r)-3-(tert-butyldimethylsilanyloxy)-5-oxo-6-(triphenylphosphanylidene)hexanoate

    25. Methyl(3r)-3-(tert-butyldimethylsilyloxy)-5-oxo-6-triphenylphosphoranylidenehexanoate

    26. (r)-3-[(tert-butyldimethylsilyl)oxy]-6-(triphenylphosphoranylidene)-5-oxohexanoic Acid Methyl Ester

    27. Methyl (3r)-3-(dimethyl(2-methyl-2-propanyl)silyloxy)-5-oxo-6-(triphenylphosphoranylidene)hexanoate

    28. Methyl (3r)-3-(tert-butyldimethyl Silyloxy)-5-oxo-6-triphenyl Phosphoranylidene Hexanoate (j6)

    29. Methyl (3r)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-5-oxo-6-(triphenylphosphoranylidene)hexanoate

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 534.7 g/mol
    Molecular Formula C31H39O4PSi
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count12
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area52.6
    Heavy Atom Count37
    Formal Charge0
    Complexity744
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1