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    Diarachidonyl Phosphatidylcholine

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Dapc, Chebi:60657, 1,2-diarachidyl-3-phosphatidylcholine, 1,2-diarachidonoyl-glycero-3-phosphocholine, Epitope id:140960, Schembl17482421
    Molecular Formula
    C48H81NO8P+
    Molecular Weight
    831.1  g/mol
    InChI Key
    LZLVZIFMYXDKCN-QJWFYWCHSA-O
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[[(2R)-2,3-bis[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
    2.1.2 InChI
    InChI=1S/C48H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,26-29,32-35,46H,6-13,18-19,24-25,30-31,36-45H2,1-5H3/p+1/b16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-/t46-/m1/s1
    2.1.3 InChI Key
    LZLVZIFMYXDKCN-QJWFYWCHSA-O
    2.1.4 Canonical SMILES
    CCCCCC=CCC=CCC=CCC=CCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
    2.1.5 Isomeric SMILES
    CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,2-diarachidonoyl-glycero-3-phosphocholine

    2. 1,2-diarachidyl-3-phosphatidylcholine

    3. 1,2-diradyl-3-phosphatidylcholine

    4. Dapc

    2.2.2 Depositor-Supplied Synonyms

    1. Dapc

    2. Chebi:60657

    3. 1,2-diarachidyl-3-phosphatidylcholine

    4. 1,2-diarachidonoyl-glycero-3-phosphocholine

    5. Epitope Id:140960

    6. Schembl17482421

    7. Zinc85560913

    8. 2-[[(2r)-2,3-bis[[(5z,8z,11z,14z)-icosa-5,8,11,14-tetraenoyl]oxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium

    2.3 Create Date
    2006-01-13
    3 Chemical and Physical Properties
    Molecular Weight 831.1 g/mol
    Molecular Formula C48H81NO8P+
    XLogP311.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count40
    Exact Mass830.56998054 g/mol
    Monoisotopic Mass830.56998054 g/mol
    Topological Polar Surface Area108 Ų
    Heavy Atom Count58
    Formal Charge1
    Complexity1300
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count8
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1