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    CAS 176380-53-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 176380-53-3, N-fmoc-l-threonol, Fmoc-thr-ol, Fmoc-l-threoninol, (9h-fluoren-9-yl)methyl ((2r,3r)-1,3-dihydroxybutan-2-yl)carbamate, (1r,2r)-(2-hydroxy-1-hydroxymethylpropyl)carbamic acid 9h-fluoren-9-ylmethyl ester
    Molecular Formula
    C19H21NO4
    Molecular Weight
    327.4  g/mol
    InChI Key
    YOKDHMTZJSRRIQ-KZULUSFZSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    9H-fluoren-9-ylmethyl N-[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamate
    2.1.2 InChI
    InChI=1S/C19H21NO4/c1-12(22)18(10-21)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18,21-22H,10-11H2,1H3,(H,20,23)/t12-,18-/m1/s1
    2.1.3 InChI Key
    YOKDHMTZJSRRIQ-KZULUSFZSA-N
    2.1.4 Canonical SMILES
    CC(C(CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
    2.1.5 Isomeric SMILES
    C[C@H]([C@@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 176380-53-3

    2. N-fmoc-l-threonol

    3. Fmoc-thr-ol

    4. Fmoc-l-threoninol

    5. (9h-fluoren-9-yl)methyl ((2r,3r)-1,3-dihydroxybutan-2-yl)carbamate

    6. (1r,2r)-(2-hydroxy-1-hydroxymethylpropyl)carbamic Acid 9h-fluoren-9-ylmethyl Ester

    7. 9h-fluoren-9-ylmethyl N-[(2r,3r)-1,3-dihydroxybutan-2-yl]carbamate

    8. N-fmoc-l-threoninol

    9. Carbamic Acid, N-[(1r,2r)-2-hydroxy-1-(hydroxymethyl)propyl]-, 9h-fluoren-9-ylmethyl Ester

    10. Mfcd00270218

    11. 9-fluorenylmethyloxycarbonyl-l-threoninol

    12. N-(9-fluorenylmethoxycarbonyl)-threoninol

    13. Schembl20371129

    14. Dtxsid40427237

    15. Amy22755

    16. Akos015908605

    17. Cs-w009863

    18. Ds-13862

    19. A26874

    20. M03458

    21. J-011184

    22. 9h-fluoren-9-ylmethyl [(2r,3r)-1,3-dihydroxybutan-2-yl]carbamate;

    23. (1r Pound Not2r)-(2-hydroxy-1-hydroxymethyl-propyl)-carbamic Acid 9h-fluoren-9-ylmethyl Ester

    2.3 Create Date
    2006-07-29
    3 Chemical and Physical Properties
    Molecular Weight 327.4 g/mol
    Molecular Formula C19H21NO4
    XLogP32.2
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area78.8
    Heavy Atom Count24
    Formal Charge0
    Complexity408
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1