Shanghai Daishang Chemical

32981-85-4

Chemistry, 2 End Use API, 28 Related Intermediates

Manufacturers/Suppliers

2 Suppliers

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Also known as: 32981-85-4, Bz-rs-iser(3-ph)-ome, Methyl (2r,3s)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate, Methyl(2r,3s)-n-benzoyl-3-phenylisoserine, Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, methyl ester, (alphar,betas)-, Benzenepropanoic acid, b-(benzoylamino)-a-hydroxy-, methyl ester,(ar,bs)-

Molecular Formula

C₁₇H₁₇NO₄

Molecular Weight

299.32 g/mol

InChI Key

UYJLJICUXJPKTB-LSDHHAIUSA-N

1 2D Structure

32981-85-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate

2.1.2 InChI

InChI=1S/C17H17NO4/c1-22-17(21)15(19)14(12-8-4-2-5-9-12)18-16(20)13-10-6-3-7-11-13/h2-11,14-15,19H,1H3,(H,18,20)/t14-,15+/m0/s1

2.1.3 InChI Key

UYJLJICUXJPKTB-LSDHHAIUSA-N

2.1.4 Canonical SMILES

COC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O

2.1.5 Isomeric SMILES

COC(=O)[C@@H]([C@H](C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 32981-85-4

2. Bz-rs-iser(3-ph)-ome

3. Methyl (2r,3s)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate

4. Methyl(2r,3s)-n-benzoyl-3-phenylisoserine

5. Benzenepropanoic Acid, Beta-(benzoylamino)-alpha-hydroxy-, Methyl Ester, (alphar,betas)-

6. Benzenepropanoic Acid, B-(benzoylamino)-a-hydroxy-, Methyl Ester,(ar,bs)-

7. 132074-01-2

8. Methyl (2r,3s)-3-benzamido-2-hydroxy-3-phenylpropanoate

9. Lkt-t 0104

10. N-benzoyl-(2r,3s)-3-phenylisoserine Methyl Ester

11. Methyl (2r,3s)-n-benzoylphenylisoserinate

12. Mls006011349

13. Schembl330450

14. Dtxsid80186619

15. Amy16035

16. Zinc5997224

17. Mfcd00673331

18. S9340

19. Akos015888974

20. Ccg-267456

21. Cs-w009961

22. Hy-w009245

23. Ds-18516

24. Smr002530167

25. Ft-0657543

26. F14223

27. 981c854

28. (-)-(2r,3s)-n-benzoyl-3-phenylisoserine Methyl Ester

29. (2r,3s)-(-)-n-benzoyl-3-phenylisoserine Methyl Ester

30. Methyl (2r,3s)-3-benzoylamino-2-hydroxy-3-phenylpropanoate

31. (2r,3s)-n-benzoyl-3-amino-2-hydroxy-3-phenylpropionic Acid Methyl Ester

32. Methyl(2r,3s)-3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropionate

33. (alphar,betas)-alpha-hydroxy-beta-(benzoylamino)hydrocinnamic Acid Methyl Ester

34. (2r,3s)-n-benzoyl-3-phenylisoserine Methyl Ester, (2r,3s)-2-hydroxy-3-n-benzoylamino-3-phenylmethyl Propionate

2.3 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₁₇NO₄
Molecular Weight	299.32 g/mol
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	299.11575802 g/mol
Monoisotopic Mass	299.11575802 g/mol
Topological Polar Surface Area	75.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	373
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

143527-70-2

End Use API

Docetaxel

About the Company

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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