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    CAS 175712-02-4
    Also known as: 175712-02-4, [(3s,5r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-chlorobenzenesulfonate, D-threo-pentitol, 2,5-anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)-, Ks-00000srd, Schembl20917659, Dtxsid301101715
    Molecular Formula
    C20H18ClF2N3O4S
    Molecular Weight
    469.9  g/mol
    InChI Key
    WUPORSBDFSRGHD-XOBRGWDASA-N
    1 2D Structure

    CAS 175712-02-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S,5R)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-chlorobenzenesulfonate
    2.1.2 InChI
    InChI=1S/C20H18ClF2N3O4S/c21-15-1-4-17(5-2-15)31(27,28)30-10-14-8-20(29-9-14,11-26-13-24-12-25-26)18-6-3-16(22)7-19(18)23/h1-7,12-14H,8-11H2/t14-,20-/m0/s1
    2.1.3 InChI Key
    WUPORSBDFSRGHD-XOBRGWDASA-N
    2.1.4 Canonical SMILES
    C1C(COC1(CN2C=NC=N2)C3=C(C=C(C=C3)F)F)COS(=O)(=O)C4=CC=C(C=C4)Cl
    2.1.5 Isomeric SMILES
    C1[C@@H](CO[C@@]1(CN2C=NC=N2)C3=C(C=C(C=C3)F)F)COS(=O)(=O)C4=CC=C(C=C4)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 175712-02-4

    2. [(3s,5r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)oxolan-3-yl]methyl 4-chlorobenzenesulfonate

    3. D-threo-pentitol, 2,5-anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)-

    4. Ks-00000srd

    5. Schembl20917659

    6. Dtxsid301101715

    7. Amy14830

    8. Mfcd28009665

    9. Zinc140123859

    10. [(3s,5r)-5-(2,4-difluorophenyl)-5-(1,2,4-triazol-1-ylmethyl)tetrahydrofuran-3-yl]methyl 4-chlorobenzenesulfonate

    11. Ds-11496

    12. Cs-0157409

    13. C73349

    14. A911618

    15. ((3s,5r)-5-((1h-1,2,4-triazol-1-yl)methyl)-5-(2,4-difluorophenyl)tetrahydrofuran-3-yl)methyl4-chlorobenzenesulfonate

    16. 2,5-anhydro-4-[[[(4-chlorophenyl)sulfonyl]oxy]methyl]-1,3,4-trideoxy-2-c-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)-d-threo-pentitol

    17. 4-chlorobenzenesulfonic Acid [(3s)-5alpha-(2,4-difluorophenyl)-5-(1h-1,2,4-triazole-1-ylmethyl)tetrahydrofuran-3beta-yl]methyl Ester

    2.3 Create Date
    2010-07-06
    3 Chemical and Physical Properties
    Molecular Weight 469.9 g/mol
    Molecular Formula C20H18ClF2N3O4S
    XLogP33.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count7
    Exact Mass469.0674613 g/mol
    Monoisotopic Mass469.0674613 g/mol
    Topological Polar Surface Area91.7 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity707
    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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        Chengdu Yazhong Bio-pharmaceutical Co., Ltd., founded in 2002, is a leading company with plant extracts, APIs and medical intermediates. Our company is equipped with GMP approved manufacturing feasibilities and state-of-art test equipments, with big technical supports and cooperation by state scientific research institutions and universities.Core products: Diosmin, Diosmin/Hesperidin(90/10), Resveratrol, Ergosterol, Artemisinin.Documents for products:GMP availableMSDS availableStability Data availableDMF available
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            [(3S,5R)-5-(2,4-Difluorophenyl)-5-(...
            A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
            A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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