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    Heparin Lithium

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
    $ API Ref.Price (USD/KG) : 42Xls

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    2D Structure
    Also known as: 9045-22-1, 4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-methoxy-5-sulfooxyoxane-2-carboxylic acid, Schembl14960713, Bcp32136, Ft-0660597, Heparin lithium salt from porcine intestinal mucosa
    Molecular Formula
    C14H25NO20S3
    Molecular Weight
    623.5  g/mol
    InChI Key
    HXSDFQWQRCUQHF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-methoxy-5-sulfooxyoxane-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C14H25NO20S3/c1-29-9-7(17)10(35-38(26,27)28)14(34-11(9)12(18)19)33-8-4(3-31-37(23,24)25)32-13(30-2)5(6(8)16)15-36(20,21)22/h4-11,13-17H,3H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)
    2.1.3 InChI Key
    HXSDFQWQRCUQHF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC1C(C(C(OC1C(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 9045-22-1

    2. 4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-methoxy-5-sulfooxyoxane-2-carboxylic Acid

    3. Schembl14960713

    4. Bcp32136

    5. Ft-0660597

    6. Heparin Lithium Salt From Porcine Intestinal Mucosa

    2.3 Create Date
    2009-11-19
    3 Chemical and Physical Properties
    Molecular Weight 623.5 g/mol
    Molecular Formula C14H25NO20S3
    XLogP3-5.4
    Hydrogen Bond Donor Count7
    Hydrogen Bond Acceptor Count21
    Rotatable Bond Count12
    Exact Mass623.01320571 g/mol
    Monoisotopic Mass623.01320571 g/mol
    Topological Polar Surface Area343 Ų
    Heavy Atom Count38
    Formal Charge0
    Complexity1120
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count10
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1