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    1808153-91-4

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: (5s)-2,2,3,3,8,8,9,9-octamethyl-5-[[(2r,3r,4s,5s)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-4,7-dioxa-3,8-disiladecane, 1808153-91-4, 4,7-dioxa-3,8-disiladecane, 2,2,3,3,8,8,9,9-octamethyl-5-[[(2r,3r,4s,5s)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-, (5s)-
    Molecular Formula
    C31H56O6SSi2
    Molecular Weight
    613.0  g/mol
    InChI Key
    XKWMVKFHMNTIPA-MQKGOTMSSA-N
    FDA UNII
    QT3X9LSV55
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2R,3R,4S,5S)-3-methoxy-4-[(4-methylphenyl)sulfonylmethyl]-5-prop-2-enyloxolan-2-yl]propan-2-yl]oxy-dimethylsilane
    2.1.2 InChI
    InChI=1S/C31H56O6SSi2/c1-14-15-27-26(22-38(32,33)25-18-16-23(2)17-19-25)29(34-9)28(36-27)20-24(37-40(12,13)31(6,7)8)21-35-39(10,11)30(3,4)5/h14,16-19,24,26-29H,1,15,20-22H2,2-13H3/t24-,26-,27-,28+,29+/m0/s1
    2.1.3 InChI Key
    XKWMVKFHMNTIPA-MQKGOTMSSA-N
    2.2 Other Identifiers
    2.2.1 UNII
    QT3X9LSV55
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (none)

    2.3.2 Depositor-Supplied Synonyms

    1. (5s)-2,2,3,3,8,8,9,9-octamethyl-5-[[(2r,3r,4s,5s)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-4,7-dioxa-3,8-disiladecane

    2. 1808153-91-4

    3. 4,7-dioxa-3,8-disiladecane, 2,2,3,3,8,8,9,9-octamethyl-5-[[(2r,3r,4s,5s)-tetrahydro-3-methoxy-4-[[(4-methylphenyl)sulfonyl]methyl]-5-(2-propen-1-yl)-2-furanyl]methyl]-, (5s)-

    2.4 Create Date
    2024-01-03
    3 Chemical and Physical Properties
    Molecular Weight 613.0 g/mol
    Molecular Formula C31H56O6SSi2
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count15
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area79.4
    Heavy Atom Count40
    Formal Charge0
    Complexity908
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1