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    Technical details about Propane-1,2,3-Triyl Trioctacosanoate, learn more about the structure, uses, toxicity, action, side effects and more

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    Propane-1,2,3-Triyl Trioctacosanoate

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    2D Structure
    Also known as: 31661-27-5, Einecs 250-755-7, Schembl11979364, Dtxsid20185560, Tris(octacosanoic acid)1,2,3-propanetriyl ester
    Molecular Formula
    C87H170O6
    Molecular Weight
    1312.3  g/mol
    InChI Key
    CWJVVYLURLZFDN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3-di(octacosanoyloxy)propyl octacosanoate
    2.1.2 InChI
    InChI=1S/C87H170O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-67-70-73-76-79-85(88)91-82-84(93-87(90)81-78-75-72-69-66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)83-92-86(89)80-77-74-71-68-65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h84H,4-83H2,1-3H3
    2.1.3 InChI Key
    CWJVVYLURLZFDN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 31661-27-5

    2. Einecs 250-755-7

    3. Schembl11979364

    4. Dtxsid20185560

    5. Tris(octacosanoic Acid)1,2,3-propanetriyl Ester

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 1312.3 g/mol
    Molecular Formula C87H170O6
    XLogP341.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count86
    Exact Mass1311.29974314 g/mol
    Monoisotopic Mass1311.29974314 g/mol
    Topological Polar Surface Area78.9 Ų
    Heavy Atom Count93
    Formal Charge0
    Complexity1340
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1