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    Technical details about 132-37-6, learn more about the structure, uses, toxicity, action, side effects and more

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    132-37-6

    ANALYTICAL SOLUTION(s)

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    2D Structure
    1. Also known as:
    Molecular Formula
    C28H33ClO16
    Molecular Weight
    661.0  g/mol
    InChI Key
    NLSMPWTZYGSAEU-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
    2.1.2 InChI
    InChI=1S/C28H32O16.ClH/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27;/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32);1H
    2.1.3 InChI Key
    NLSMPWTZYGSAEU-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1=C(C=CC(=C1)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O.[Cl-]
    2.2 Create Date
    2007-02-09
    3 Chemical and Physical Properties
    Molecular Weight 661.0 g/mol
    Molecular Formula C28H33ClO16
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count16
    Rotatable Bond Count8
    Exact Mass660.1457127 g/mol
    Monoisotopic Mass660.1457127 g/mol
    Topological Polar Surface Area249 Ų
    Heavy Atom Count45
    Formal Charge0
    Complexity915
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count10
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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