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    Chitosan Hydrochloride

    ACTIVE PHARMA INGREDIENTS

    DIGITAL CONTENT

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 148411-57-8, 77224-08-9, (2r,3s,4r,5r,6s)-5-amino-6-[(2r,3s,4r,5r,6r)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol, 2-amino-4-o-(2-amino-2-deoxy-beta-d-glucopyranosyl)-2-deoxy-beta-d-glucopyranose, B-d-glucopyranose,2-amino-4-o-(2-amino-2-deoxy-b-d-glucopyranosyl)-2-deoxy-, (2r,3r,4r,5s,6r)-3-amino-5-{[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol
    Molecular Formula
    C12H24N2O9
    Molecular Weight
    340.33  g/mol
    InChI Key
    QLTSDROPCWIKKY-PMCTYKHCSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4R,5R,6S)-5-amino-6-[(2R,3S,4R,5R,6R)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol
    2.1.2 InChI
    InChI=1S/C12H24N2O9/c13-5-9(19)10(4(2-16)21-11(5)20)23-12-6(14)8(18)7(17)3(1-15)22-12/h3-12,15-20H,1-2,13-14H2/t3-,4-,5-,6-,7-,8-,9-,10-,11-,12+/m1/s1
    2.1.3 InChI Key
    QLTSDROPCWIKKY-PMCTYKHCSA-N
    2.1.4 Canonical SMILES
    C(C1C(C(C(C(O1)OC2C(OC(C(C2O)N)O)CO)N)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](O[C@H]([C@@H]([C@H]2O)N)O)CO)N)O)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 148411-57-8

    2. 77224-08-9

    3. (2r,3s,4r,5r,6s)-5-amino-6-[(2r,3s,4r,5r,6r)-5-amino-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-2-(hydroxymethyl)oxane-3,4-diol

    4. 2-amino-4-o-(2-amino-2-deoxy-beta-d-glucopyranosyl)-2-deoxy-beta-d-glucopyranose

    5. B-d-glucopyranose,2-amino-4-o-(2-amino-2-deoxy-b-d-glucopyranosyl)-2-deoxy-

    6. (2r,3r,4r,5s,6r)-3-amino-5-{[(2s,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol

    7. Deacetylated Chitin

    8. Poly(d-glucosamine)

    9. Schembl186177

    10. Chebi:50677

    11. Dtxsid80584131

    12. Zinc25723126

    13. Akos037515792

    14. Cs-0239055

    15. Chitosan Oligosaccharide Lactate, Average Mn 5,000

    16. Q27122179

    17. 4-o-(2-amino-2-deoxy-beta-d-glucopyranosyl)-beta-d-glucosamine

    18. Wurcs=2.0/1,2,1/[a2122h-1b_1-5_2*n]/1-1/a4-b1

    19. 2-amino-4-o-(2-amino-2-deoxy-

    20. A-d-glucopyranosyl)-2-deoxy-

    21. A-d-glucopyranose

    2.3 Create Date
    2007-07-12
    3 Chemical and Physical Properties
    Molecular Weight 340.33 g/mol
    Molecular Formula C12H24N2O9
    XLogP3-5.2
    Hydrogen Bond Donor Count8
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count4
    Exact Mass340.14818035 g/mol
    Monoisotopic Mass340.14818035 g/mol
    Topological Polar Surface Area201 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity390
    Isotope Atom Count0
    Defined Atom Stereocenter Count10
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1