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    Technical details about CAS 461432-24-6, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 461432-24-6

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    PharmaCompass

    Farmhispania Group, a leading European CDMO in HPAPI Technologies & High Potency Fermentation.

    One Pharma aims to be one of the leading generic companies in Europe.

    2D Structure
    1. Also known as: 461432-24-6, Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-d-glucopyranoside, Schembl1551581, Dtxsid601148940, Cs-13058, Cs-0009474
    Molecular Formula
    C22H27ClO7
    Molecular Weight
    438.9  g/mol
    InChI Key
    GKTWLVVOULBRDU-VEIQOZLZSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C22H27ClO7/c1-3-29-16-7-4-13(5-8-16)10-14-11-15(6-9-17(14)23)22(28-2)21(27)20(26)19(25)18(12-24)30-22/h4-9,11,18-21,24-27H,3,10,12H2,1-2H3/t18-,19-,20+,21-,22?/m1/s1
    2.1.3 InChI Key
    GKTWLVVOULBRDU-VEIQOZLZSA-N
    2.1.4 Canonical SMILES
    CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3(C(C(C(C(O3)CO)O)O)O)OC)Cl
    2.1.5 Isomeric SMILES
    CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)OC)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 461432-24-6

    2. Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-d-glucopyranoside

    3. Schembl1551581

    4. Dtxsid601148940

    5. Cs-13058

    6. Cs-0009474

    7. D-glucopyranoside,methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-

    8. Methyl 1-c-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]d-glucopyranoside

    9. (3r,4s,5s,6r)-2-(3-(4-ethoxybenzyl)-4-chlorophenyl)-6-(hydroxymethyl)-2-methoxy-tetrahydro-2h-pyran-3,4,5-triol

    10. (3r,4s,5s,6r)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)-2-methoxyoxane-3,4,5-triol

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 438.9 g/mol
    Molecular Formula C22H27ClO7
    XLogP32.1
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count7
    Exact Mass438.1445309 g/mol
    Monoisotopic Mass438.1445309 g/mol
    Topological Polar Surface Area109 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity530
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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