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    Technical details about 2-Fucosyllactose-Synthetic, learn more about the structure, uses, toxicity, action, side effects and more

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    2-Fucosyllactose-Synthetic

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    2D Structure
    1. Also known as: 2-fucosyllactose - synthetic, W-202697, 2'-fucosyl-d-lactose, from human milk, >=98% (hpae/pad), (3r,4r,5s,6r)-5-((2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yloxy)tetrahydro-2h-pyran-2-yloxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,3,4-triol
    Molecular Formula
    C18H32O15
    Molecular Weight
    488.4  g/mol
    InChI Key
    SNFSYLYCDAVZGP-ZTFPOLCTSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
    2.1.2 InChI
    InChI=1S/C18H32O15/c1-4-7(21)9(23)13(27)17(29-4)33-15-10(24)8(22)5(2-19)31-18(15)32-14-6(3-20)30-16(28)12(26)11(14)25/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10-,11+,12+,13-,14+,15+,16?,17+,18-/m0/s1
    2.1.3 InChI Key
    SNFSYLYCDAVZGP-ZTFPOLCTSA-N
    2.1.4 Canonical SMILES
    CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(OC(C(C3O)O)O)CO)CO)O)O)O)O)O
    2.1.5 Isomeric SMILES
    C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](OC([C@@H]([C@H]3O)O)O)CO)CO)O)O)O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2-fucosyllactose - Synthetic

    2. W-202697

    3. 2'-fucosyl-d-lactose, From Human Milk, >=98% (hpae/pad)

    4. (3r,4r,5s,6r)-5-((2s,3r,4s,5r,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-((2r,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyltetrahydro-2h-pyran-2-yloxy)tetrahydro-2h-pyran-2-yloxy)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,3,4-triol

    2.3 Create Date
    2007-07-16
    3 Chemical and Physical Properties
    Molecular Weight 488.4 g/mol
    Molecular Formula C18H32O15
    XLogP3-5.8
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count15
    Rotatable Bond Count6
    Exact Mass488.17412031 g/mol
    Monoisotopic Mass488.17412031 g/mol
    Topological Polar Surface Area248 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity626
    Isotope Atom Count0
    Defined Atom Stereocenter Count14
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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