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ACTIVE PHARMA INGREDIENTS

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Also known as: 32634-66-5, Di-p-toluoyl-l-tartaric acid, (-)-di-p-toluoyl-l-tartaric acid, (-)-o,o'-di-p-toluoyl-l-tartaric acid, (2r,3r)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid, L-dtta

Molecular Formula

C₂₀H₁₈O₈

Molecular Weight

386.4 g/mol

InChI Key

CMIBUZBMZCBCAT-HZPDHXFCSA-N

1 2D Structure

Di-P-Toluoyl- L-Tartaric Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid

2.1.2 InChI

InChI=1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)/t15-,16-/m1/s1

2.1.3 InChI Key

CMIBUZBMZCBCAT-HZPDHXFCSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O

2.1.5 Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 32634-66-5

2. Di-p-toluoyl-l-tartaric Acid

3. (-)-di-p-toluoyl-l-tartaric Acid

4. (-)-o,o'-di-p-toluoyl-l-tartaric Acid

5. (2r,3r)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic Acid

6. L-dtta

7. (-)-di-1,4-o-toluoyl-l-tartaric Acid

8. 2,3-bis[(4-methylbenzoyl)oxy]butanedioic Acid

9. L-(-)-di-p-toluoyltartaric Acid

10. 217968-14-4

11. Mfcd00064440

12. O,o'-di-p-toluoyl-l-tartaric Acid

13. L-ptta

14. (-)-di-1,4-toluoyl-l-tartaric Acid

15. (2r,3r)-2,3-bis[(4-methylbenzoyl)oxy]succinic Acid

16. Di-p-toluoyl-l-tartaricacid

17. Schembl72171

18. Butanedioic Acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2r,3r)-

19. Dtxsid20885538

20. L-(-di-p-toluoyl Tartaric Acid)

21. (-)-di-p-toluoyl-d-tartaric Acid

22. L-(-)-di-p-toluoyl-tartaric Acid

23. (-)-di-p-toluoyl-l-trataric Acid

24. Act03159

25. Zinc1592490

26. (-)-di-(p-toluoyl)-l-tartaric Acid

27. (?)-bis(p-toluoyl)-l-tartaric Acid

28. Akos016842466

29. (-)-di-1,4-o-toluoyl-ltartaric Acid

30. Ac-3432

31. Am81409

32. (-)-di-o,o'-p-toluoyl-l-tartaric Acid

33. As-12034

34. (-)-o,o'-di-1,4-toluoyl-l-tartaric Acid

35. Cs-0015300

36. D1387

37. L-(-)-tartaric Acid-o,o'-di-p-toluoyl Ester

38. (2r,3r)-(-)-di-o-4-toluoyl-l-tartaric Acid

39. 34d665

40. (-)-o,o'-di-p-toluoyl-l-tartaric Acid, 97%

41. (2r,3r)-2,3-bis(4-methylbenzoyloxy)succinic Acid

42. W-106833

43. F0001-0969

44. (-)-o,o'-di-p-toluoyl-l-tartaric Acid, Purum, >=98.0% (t)

45. (2r,3r)-(-)-2,3-bis[(4-methylbenzoyl)oxy]butane-1,4-dioic Acid

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₈O₈
Molecular Weight	386.4 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	386.10016753 g/mol
Monoisotopic Mass	386.10016753 g/mol
Topological Polar Surface Area	127 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	533
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