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    Lactose Monohydrate API

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

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    2D Structure
    Also known as: 10039-26-6, Lactose, monohydrate, Lactose hydrate, 64044-51-5, (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;hydrate, Alpha-lactose,monohydrate
    Molecular Formula
    C12H24O12
    Molecular Weight
    360.31  g/mol
    InChI Key
    WSVLPVUVIUVCRA-RJMJUYIDSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;hydrate
    2.1.2 InChI
    InChI=1S/C12H22O11.H2O/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;/h3-20H,1-2H2;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+;/m1./s1
    2.1.3 InChI Key
    WSVLPVUVIUVCRA-RJMJUYIDSA-N
    2.1.4 Canonical SMILES
    C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)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](OC([C@@H]([C@H]2O)O)O)CO)O)O)O)O.O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 10039-26-6

    2. Lactose, Monohydrate

    3. Lactose Hydrate

    4. 64044-51-5

    5. (2r,3r,4s,5r,6s)-2-(hydroxymethyl)-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol;hydrate

    6. Alpha-lactose,monohydrate

    7. Lactose Standard 5 %

    8. D-(+)-lactose 1-hydrate

    9. Schembl927652

    10. Dtxsid301016679

    11. Akos015915778

    12. (3r,4r,5s,6r)-6-(hydroxymethyl)-5-((2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yloxy)tetrahydro-2h-pyran-2,3,4-triol Hydrate

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 360.31 g/mol
    Molecular Formula C12H24O12
    Hydrogen Bond Donor Count9
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count4
    Exact Mass360.12677620 g/mol
    Monoisotopic Mass360.12677620 g/mol
    Topological Polar Surface Area191 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity382
    Isotope Atom Count0
    Defined Atom Stereocenter Count9
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2