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    [(3S,5R)-5-(2,4-Dichlorophenyl)-5-(1,2,4-Triazol-1-Ylmethyl)Oxolan-3-Yl]Methyl Methanesulfonate manufacturers and suppliers on PharmaCompass

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    PharmaCompass

    Chemistry

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    Also known as: Akos025401515, Ac-20383
    Molecular Formula
    C15H17Cl2N3O4S
    Molecular Weight
    406.3  g/mol
    InChI Key
    APVVOXPJMFTGBN-NHYWBVRUSA-N
    [(3S,5R)-5-(2,4-Dichlorophenyl)-5-(1,2,4-Triazol-1-Ylmethyl)Oxolan-3-Yl]Methyl Methanesulfonate
    1 2D Structure

    [(3S,5R)-5-(2,4-Dichlorophenyl)-5-(1,2,4-Triazol-1-Ylmethyl)Oxolan-3-Yl]Methyl Methanesulfonate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S,5R)-5-(2,4-dichlorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl methanesulfonate
    2.1.2 InChI
    InChI=1S/C15H17Cl2N3O4S/c1-25(21,22)24-7-11-5-15(23-6-11,8-20-10-18-9-19-20)13-3-2-12(16)4-14(13)17/h2-4,9-11H,5-8H2,1H3/t11-,15-/m0/s1
    2.1.3 InChI Key
    APVVOXPJMFTGBN-NHYWBVRUSA-N
    2.1.4 Canonical SMILES
    CS(=O)(=O)OCC1CC(OC1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
    2.1.5 Isomeric SMILES
    CS(=O)(=O)OC[C@H]1C[C@](OC1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Akos025401515

    2. Ac-20383

    2.3 Create Date
    2009-05-28
    3 Chemical and Physical Properties
    Molecular Weight 406.3 g/mol
    Molecular Formula C15H17Cl2N3O4S
    XLogP32.4
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass405.0316826 g/mol
    Monoisotopic Mass405.0316826 g/mol
    Topological Polar Surface Area91.7 Ų
    Heavy Atom Count25
    Formal Charge0
    Complexity562
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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