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    2D Structure
    Also known as: Q423846, 2-[6-[4,5-bis(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
    Molecular Formula
    C32H60O19
    Molecular Weight
    748.8  g/mol
    InChI Key
    VUKAUDKDFVSVFT-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[6-[4,5-bis(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
    2.1.2 InChI
    InChI=1S/C32H60O19/c1-15(34)10-44-14-20-25(27(45-11-16(2)35)29(31(43-8)48-20)46-12-17(3)36)51-32-28(42-7)26(41-6)24(19(49-32)13-39-4)50-30-22(38)21(37)23(40-5)18(9-33)47-30/h15-38H,9-14H2,1-8H3
    2.1.3 InChI Key
    VUKAUDKDFVSVFT-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(COCC1C(C(C(C(O1)OC)OCC(C)O)OCC(C)O)OC2C(C(C(C(O2)COC)OC3C(C(C(C(O3)CO)OC)O)O)OC)OC)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Q423846

    2. 2-[6-[4,5-bis(2-hydroxypropoxy)-2-(2-hydroxypropoxymethyl)-6-methoxyoxan-3-yl]oxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol

    2.3 Create Date
    2008-07-09
    3 Chemical and Physical Properties
    Molecular Weight 748.8 g/mol
    Molecular Formula C32H60O19
    XLogP3-3.9
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count19
    Rotatable Bond Count21
    Exact Mass748.37287968 g/mol
    Monoisotopic Mass748.37287968 g/mol
    Topological Polar Surface Area241 Ų
    Heavy Atom Count51
    Formal Charge0
    Complexity952
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count18
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1