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    Technical details about Sorbitan, Tristearate, learn more about the structure, uses, toxicity, action, side effects and more

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    Sorbitan Tristearate

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    PharmaCompass

    Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

    Rochem, your partner in developing, sourcing, and supplying pharmaceutical & animal health ingredients of Chinese origin.

    2D Structure
    1. Also known as:
    Molecular Formula
    C60H114O8
    Molecular Weight
    963.5  g/mol
    InChI Key
    NBIZFEQHLSJRPG-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-(3-hydroxy-4-octadecanoyloxyoxolan-2-yl)-2-octadecanoyloxyethyl] octadecanoate
    2.1.2 InChI
    InChI=1S/C60H114O8/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(61)65-53-55(68-58(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)60-59(64)54(52-66-60)67-57(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54-55,59-60,64H,4-53H2,1-3H3
    2.1.3 InChI Key
    NBIZFEQHLSJRPG-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCC(=O)OCC(C1C(C(CO1)OC(=O)CCCCCCCCCCCCCCCCC)O)OC(=O)CCCCCCCCCCCCCCCCC
    2.2 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 963.5 g/mol
    Molecular Formula C60H114O8
    XLogP324.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count56
    Exact Mass962.85137059 g/mol
    Monoisotopic Mass962.85137059 g/mol
    Topological Polar Surface Area108 Ų
    Heavy Atom Count68
    Formal Charge0
    Complexity1100
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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