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Overview of 143527-70-2

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(4S,5R)-N-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylic acid
PharmaCompass
(4S,5R)-N-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylic acid
Also known as: 143527-70-2, (4s,5r)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid, (4s,5r)-3,5-oxazolidinedicarboxylic acid-2,2-dimethyl-4-phenyl-3-(1,1-dimethylethyl)ester, (4s,5r)-3-[(tert-butoxy)carbonyl]-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic acid, Vahxmezcpghdbj-qwhcgfszsa-n, Ak-25421
Molecular Formula
C17H23NO5
Molecular Weight
321.4  g/mol
InChI Key
VAHXMEZCPGHDBJ-QWHCGFSZSA-N

1 2D Structure

(4S,5R)-N-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylic acid

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(4S,5R)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic acid
2.1.2 InChI
InChI=1S/C17H23NO5/c1-16(2,3)23-15(21)18-12(11-9-7-6-8-10-11)13(14(19)20)22-17(18,4)5/h6-10,12-13H,1-5H3,(H,19,20)/t12-,13+/m0/s1
2.1.3 InChI Key
VAHXMEZCPGHDBJ-QWHCGFSZSA-N
2.1.4 Canonical SMILES
CC1(N(C(C(O1)C(=O)O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C
2.1.5 Isomeric SMILES
CC1(N([C@H]([C@@H](O1)C(=O)O)C2=CC=CC=C2)C(=O)OC(C)(C)C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 143527-70-2

2. (4s,5r)-3-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic Acid

3. (4s,5r)-3,5-oxazolidinedicarboxylic Acid-2,2-dimethyl-4-phenyl-3-(1,1-dimethylethyl)ester

4. (4s,5r)-3-[(tert-butoxy)carbonyl]-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic Acid

5. Vahxmezcpghdbj-qwhcgfszsa-n

6. Ak-25421

7. Schembl286796

8. Jsp002556

9. Ctk8b6068

10. Dtxsid50450238

11. Bcp13722

12. Ebd42607

13. Anw-52397

14. Mfcd09263630

15. Zinc21982884

16. Akos015838260

17. Akos015888976

18. Ac-8776

19. Acn-032472

20. Am84394

21. An-7701

22. Ds-0461

23. Rtr-005550

24. (4s,5r)-n-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylic Acid

25. Aj-79144

26. Br-25421

27. Q745

28. Ab0017781

29. Ax8018341

30. St2408046

31. Tr-005550

32. B4127

33. Ft-0647934

34. S-5343

35. 527b702

36. (4s,5r)-3-boc-2,2-dimethyl-4-phenyl-1,3-oxazolidine-5-carboxylic Acid

37. T-butyl (4s,5r)-5-carboxy-2,2-di-methyl-4-phenyloxazolidine-3-carboxylate

38. (4s,5r)-2,2-dimethyl-4-phenyloxazolidine-3,5-dicarboxylic Acid 3-tert-butyl Ester

39. (4s,5r)-3-tert-butoxycarbonyl-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylic Acid

40. (4s,5r)-3-tert-butoxycarbonyl-2,2-dimethyl-4-phenyl-oxazolidine-5-carboxylic Acid

41. (4s,5r)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenyl-1,3-oxazolidine-5-carboxylic Acid

42. (4s,5r)-3,5-oxazolidinedicarboxylic Acid, 2,2-dimethyl-4-phenyl-3-(1,1-dimethylethyl)ester

43. (4s-trans)-2,2-dimethyl-4-phenyl-3,5-oxazolidinedicarboxylic Acid 3-(1,1-dimethylethyl) Ester; (4s,5r)-5-carboxy-2,2-dimethyl-4-phenyl-3-(tert-butoxycarbonyl)oxazolidine; (4s,5r)-n-(tert-butoxycarbonyl)-2,2-dimethyl-4-phenyl-5-oxazolidinecarboxylic Acid

44. 3,5-oxazolidinedicarboxylic Acid,2,2-dimethyl-4-phenyl-,3-(1,1-dimethylethyl)ester,(4s,5r)-

45. Docetaxel Related Compound 3 ((4s, 5r)-3-(tert-butoxycarbonyl)-2, 2-dimethyl-4-phenyloxazolidine-5-carboxylic Acid)

2.3 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 321.4 g/mol
Molecular Formula C17H23NO5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass321.157623 g/mol
Monoisotopic Mass321.157623 g/mol
Topological Polar Surface Area76.1 A^2
Heavy Atom Count23
Formal Charge0
Complexity462
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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