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    Chemistry

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    Also known as: 9041-08-1, Heparin, sodium salt, Nadroparin sodium, Heparin sodium salt (mw 15kda), D78319
    Molecular Formula
    C9H20N3NaO3
    Molecular Weight
    241.26  g/mol
    InChI Key
    YOMTXLQWRQUKAK-UHFFFAOYSA-N
    CAS 9041-08-1
    1 2D Structure

    CAS 9041-08-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    sodium;2-[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanolate
    2.1.2 InChI
    InChI=1S/C9H20N3O3.Na/c13-4-1-10-7-11(2-5-14)9-12(8-10)3-6-15;/h13-14H,1-9H2;/q-1;+1
    2.1.3 InChI Key
    YOMTXLQWRQUKAK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1N(CN(CN1CCO)CC[O-])CCO.[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 9041-08-1

    2. Heparin, Sodium Salt

    3. Nadroparin Sodium

    4. Heparin Sodium Salt (mw 15kda)

    5. D78319

    2.3 Create Date
    2016-05-17
    3 Chemical and Physical Properties
    Molecular Weight 241.26 g/mol
    Molecular Formula C9H20N3NaO3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area73.2
    Heavy Atom Count16
    Formal Charge0
    Complexity162
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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