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    CAS 106910-77-4 manufacturers and suppliers on PharmaCompass

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    CAS 106910-77-4

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    CAS 106910-77-4
    Also known as: 106910-77-4, D-n-benzylserine, N-benzyl-d-serine, (2r)-2-(benzylamino)-3-hydroxypropanoic acid, D-serine, n-(phenylmethyl)-, Mfcd12198844
    Molecular Formula
    C10H13NO3
    Molecular Weight
    195.21  g/mol
    InChI Key
    CTSBUHPWELFRGB-SECBINFHSA-N
    1 2D Structure

    CAS 106910-77-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R)-2-(benzylamino)-3-hydroxypropanoic acid
    2.1.2 InChI
    InChI=1S/C10H13NO3/c12-7-9(10(13)14)11-6-8-4-2-1-3-5-8/h1-5,9,11-12H,6-7H2,(H,13,14)/t9-/m1/s1
    2.1.3 InChI Key
    CTSBUHPWELFRGB-SECBINFHSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)CNC(CO)C(=O)O
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)CN[C@H](CO)C(=O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 106910-77-4

    2. D-n-benzylserine

    3. N-benzyl-d-serine

    4. (2r)-2-(benzylamino)-3-hydroxypropanoic Acid

    5. D-serine, N-(phenylmethyl)-

    6. Mfcd12198844

    7. N-benzyl-d Serine

    8. Bn-d-ser-oh

    9. N-(phenylmethyl)-d-serine

    10. N -(phenylmethyl)-d-serine

    11. Schembl310937

    12. Dtxsid10543337

    13. Zinc399361

    14. Ab10356

    15. Ds-6049

    16. Hy-w050784

    17. Cs-0043104

    18. (r)-2-(benzylamino)-3-hydroxypropanoicacid

    19. (r)-2-(benzylamino)-3-hydroxypropanoic Acid (bzl-d-ser-oh)

    2.3 Create Date
    2007-02-08
    3 Chemical and Physical Properties
    Molecular Weight 195.21 g/mol
    Molecular Formula C10H13NO3
    XLogP3-1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count5
    Exact Mass195.08954328 g/mol
    Monoisotopic Mass195.08954328 g/mol
    Topological Polar Surface Area69.6 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity178
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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