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    Technical details about CAS 95715-85-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 95715-85-8

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 95715-85-8, Boc-d-serine methyl ester, N-boc-d-serine methyl ester, N-(tert-butoxycarbonyl)-d-serine methyl ester, Methyl (2r)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, (-)-methyl n-boc-d-serinate
    Molecular Formula
    C9H17NO5
    Molecular Weight
    219.23  g/mol
    InChI Key
    SANNKFASHWONFD-ZCFIWIBFSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
    2.1.2 InChI
    InChI=1S/C9H17NO5/c1-9(2,3)15-8(13)10-6(5-11)7(12)14-4/h6,11H,5H2,1-4H3,(H,10,13)/t6-/m1/s1
    2.1.3 InChI Key
    SANNKFASHWONFD-ZCFIWIBFSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC(CO)C(=O)OC
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@H](CO)C(=O)OC
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 95715-85-8

    2. Boc-d-serine Methyl Ester

    3. N-boc-d-serine Methyl Ester

    4. N-(tert-butoxycarbonyl)-d-serine Methyl Ester

    5. Methyl (2r)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

    6. (-)-methyl N-boc-d-serinate

    7. (r)-methyl 2-(tert-butoxycarbonylamino)-3-hydroxypropanoate

    8. D-serine, N-[(1,1-dimethylethoxy)carbonyl]-, Methyl Ester

    9. (r)-methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoate

    10. Nsc659314

    11. Methyl N-(tert-butoxycarbonyl)-d-serinate

    12. Mfcd00270516

    13. Schembl3617926

    14. Methyl N-boc-d-serinate

    15. Dtxsid00327481

    16. Act00016

    17. Methyl (2r)-2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoate

    18. Zinc1637062

    19. Akos015892723

    20. Akos015995302

    21. Cs-w019796

    22. Nsc-659314

    23. Methyl (tert-butoxycarbonyl)-d-serinate

    24. Ac-24070

    25. As-12236

    26. Hy-79513

    27. Am20090348

    28. N-tert-butoxycarbonyl-d-serine Methyl Ester

    29. N-(tert Butoxycarbonyl)-l-serine Methyl Ester

    30. A26609

    31. M06200

    32. 715b858

    33. J-300232

    34. Q-101716

    35. N-(tert-butoxycarbonyl)-d-serine Methyl Ester, 97%

    36. Tert-butyl (r)-1-(methoxycarbonyl)-2-hydroxyethylcarbamate

    37. Methyl (r)-2-((tert-butoxycarbonyl)amino)-3-hydroxypropanoate

    38. (r)-2-tert-butoxycarbonylamino-3-hydroxy-propionic Acid Methyl Ester

    39. Methyl (2r)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 219.23 g/mol
    Molecular Formula C9H17NO5
    XLogP30.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count6
    Exact Mass219.11067264 g/mol
    Monoisotopic Mass219.11067264 g/mol
    Topological Polar Surface Area84.9 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity233
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1