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    CAS 124605-42-1
    Also known as: 124605-42-1, (2r,3s)-n-boc-3-phenylisoserine methyl ester, Methyl (2r,3s)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate, (2r,3s)-n-tert-butoxycarbonyl-3-phenyl-isoserine methyl ester, Methyl (2r,3s)-n-tert-butoxycarbonyl-3-phenyl isoserinate, (2r,3s)-n-boc-3-phenylisoserinemethylester
    Molecular Formula
    C15H21NO5
    Molecular Weight
    295.33  g/mol
    InChI Key
    NCALQERIBRYGOK-NWDGAFQWSA-N
    1 2D Structure

    CAS 124605-42-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl (2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
    2.1.2 InChI
    InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-11(12(17)13(18)20-4)10-8-6-5-7-9-10/h5-9,11-12,17H,1-4H3,(H,16,19)/t11-,12+/m0/s1
    2.1.3 InChI Key
    NCALQERIBRYGOK-NWDGAFQWSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(C(=O)OC)O
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)OC)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 124605-42-1

    2. (2r,3s)-n-boc-3-phenylisoserine Methyl Ester

    3. Methyl (2r,3s)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate

    4. (2r,3s)-n-tert-butoxycarbonyl-3-phenyl-isoserine Methyl Ester

    5. Methyl (2r,3s)-n-tert-butoxycarbonyl-3-phenyl Isoserinate

    6. (2r,3s)-n-boc-3-phenylisoserinemethylester

    7. Schembl6784979

    8. Methyl(2r,3s)-n-tert-butoxycarbonyl-3-phenylisoserinate

    9. Dtxsid501132493

    10. Amy16006

    11. Ac-517

    12. Mfcd09037385

    13. Zinc12506667

    14. Akos015964432

    15. Methyl (2r,3s)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoate

    16. As-11438

    17. Cs-0022808

    18. En300-88053

    19. F14147

    20. 605h421

    21. Methyl (2r,3s)-3-t-butoxycarbonylamino-2-hydroxy-3-phenylpropionate

    22. Methyl (2r,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropanoate

    23. (2r,3s)-2-hydroxy-3-(n-tertbutoxycarbonyl) Amino-3-phenyl-methyl Propionate

    24. (2r,3s)-2-hydroxy-3-(tert-butoxycarbonylamino)-3-phenylpropionic Acid Methyl Ester

    25. 3-(2,2-dimethyl-propoxycarbonylamino)-2-hydroxy-3-phenyl-propionic Acid Methyl Ester

    26. Benzenepropanoic Acid, Beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, Methyl Ester, (alphar,betas)-

    27. Methyl (alphar,betas)-beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxybenzenepropanoate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 295.33 g/mol
    Molecular Formula C15H21NO5
    XLogP31.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass295.14197277 g/mol
    Monoisotopic Mass295.14197277 g/mol
    Topological Polar Surface Area84.9 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity358
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                                              Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Tech...
                                              Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.
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                                                (4S,5R)-2,4-diphenyl-4,5-dihydrooxazole- 5-carboxylic a...

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                                                158722-22-6
                                                Docetaxel
                                                Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Tech...
                                                Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.
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                                                  (4S,5R)-2,4-diphenyl-4,5-dihydrooxazole- 5-carboxylic a...

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                                                  158722-22-6
                                                  Paclitaxel
                                                  Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Tech...
                                                  Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.
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                                                    (4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4- phenylo...

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                                                    143527-70-2
                                                    Docetaxel
                                                    Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Tech...
                                                    Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.
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                                                      (4S,5R)-3-(tert-Butoxycarbonyl)-2,2-dimethyl-4- phenylo...

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                                                      URL Supplier Web Content
                                                      143527-70-2
                                                      Paclitaxel
                                                      Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Tech...
                                                      Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.
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                                                        (4S,5R)-3-tert-butoxycarbony-2-(4-anisy)- 4-phenyl-5-ox...

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                                                        196404-55-4
                                                        Docetaxel
                                                        Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Tech...
                                                        Shanghai Daishang Chemical Co., Ltd. established in January 2005, sticking to the guiding principle "Technical innovation, Quality Orientation", we practice best of technology innovation, optimized management and robust service system for our customers. Daishang Chem is specialized in the researching, manufacturing, sales and marketing of API & Its Intermediates as well as other Fine Chemicals, taking great advantages of professional and proficient staff, based on three chemical manufacturing sites and one GMP manufacturing workshops in Liaoning, Henan and Zhejiang provinces, and one R&D laboratory in Zhangjiang Hi-tech Park.
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                                                        euroapi-2024-05-06

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                                                        Minakem offers CDMO services for API & HPAPI, generics, regulatory expertise, track record performance & FDA & GMP certifications.

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