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    Fructose, Acyclic, Pentakis-Tms

    FINISHED DOSAGE FORMULATIONS

    PharmaCompass
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    2D Structure
    Also known as: Fructose, (5tms), D-fructose, penta-tms, D-fructose, 1,3,4,5,6-pentakis-o-(trimethylsilyl)-, D-fructose, 5tms derivative, Fructose, acyclic, pentakis-tms, 1,3,4,5,6-pentakis-o-(trimethylsilyl)fructose, (d)-
    Molecular Formula
    C21H52O6Si5
    Molecular Weight
    541.1  g/mol
    InChI Key
    LDUCAYFXHYLHLP-ACRUOGEOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4S,5S)-1,3,4,5,6-pentakis(trimethylsilyloxy)hexan-2-one
    2.1.2 InChI
    InChI=1S/C21H52O6Si5/c1-28(2,3)23-16-18(22)20(26-31(10,11)12)21(27-32(13,14)15)19(25-30(7,8)9)17-24-29(4,5)6/h19-21H,16-17H2,1-15H3/t19-,20-,21-/m0/s1
    2.1.3 InChI Key
    LDUCAYFXHYLHLP-ACRUOGEOSA-N
    2.1.4 Canonical SMILES
    C[Si](C)(C)OCC(C(C(C(=O)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
    2.1.5 Isomeric SMILES
    C[Si](C)(C)OC[C@@H]([C@@H]([C@H](C(=O)CO[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Fructose, (5tms)

    2. D-fructose, Penta-tms

    3. D-fructose, 1,3,4,5,6-pentakis-o-(trimethylsilyl)-

    4. D-fructose, 5tms Derivative

    5. Fructose, Acyclic, Pentakis-tms

    6. 1,3,4,5,6-pentakis-o-(trimethylsilyl)fructose, (d)-

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 541.1 g/mol
    Molecular Formula C21H52O6Si5
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count15
    Exact Mass540.26102205 g/mol
    Monoisotopic Mass540.26102205 g/mol
    Topological Polar Surface Area63.2 Ų
    Heavy Atom Count32
    Formal Charge0
    Complexity582
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1