CAS 100632-52-8 manufacturers and suppliers on PharmaCompass

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Also known as: Dibenzoyl-l-tartaric acid, 2,3-bis-benzoyloxy-succinic acid, L-dibenzoyltartaric acid, Dibenzoyl d-tartaric acid, (-)-dibenzoyltartaric acid, [-]-dibenzoyltartaric acid
Molecular Formula
C18H14O8
Molecular Weight
358.3  g/mol
InChI Key
YONLFQNRGZXBBF-UHFFFAOYSA-N

CAS 100632-52-8
1 2D Structure

CAS 100632-52-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3-dibenzoyloxybutanedioic acid
2.1.2 InChI
InChI=1S/C18H14O8/c19-15(20)13(25-17(23)11-7-3-1-4-8-11)14(16(21)22)26-18(24)12-9-5-2-6-10-12/h1-10,13-14H,(H,19,20)(H,21,22)
2.1.3 InChI Key
YONLFQNRGZXBBF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=CC=C2)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Dibenzoyl-l-tartaric Acid

2. 2,3-bis-benzoyloxy-succinic Acid

3. L-dibenzoyltartaric Acid

4. Dibenzoyl D-tartaric Acid

5. (-)-dibenzoyltartaric Acid

6. [-]-dibenzoyltartaric Acid

7. (+)-dibenzoyl Tartaric Acid

8. [-]-dibenzoyl Tartaric Acid

9. O,o-dibenzoyl-(+)-tartaric Acid

10. Tartaric Acid, Dibenzoate, (+)-

11. (-)-dibenzoyl-l(+)-tartaric Acid

12. Mfcd00063222

13. Nsc-118224

14. O,o-dibenzoyltartaric Acid

15. Schembl7685

16. Butanedioic Acid, 2,3-bis(benzoyloxy)-, [s-(r*,r*)]-

17. (2r,3r)-2,3-bis(benzoyloxy)butanedioic Acid (dibenzoyltartric Acid)

18. 2-o,3-o-dibenzoyltartaric Acid

19. Dtxsid90859761

20. 2,3-bis(benzoyloxy)succinic Acid

21. (+)2,3-dibenzoyl-d-tartaric Acid

22. 2,3-bis(benzoyloxy)butanedioic Acid

23. 2,3-bis(benzoyloxy)succinic Acid #

24. Nsc118224

25. Nsc338494

26. Stl256858

27. Akos001593260

28. Akos016038551

29. Ac-3427

30. Nsc-338494

31. As-11872

32. Bp-12996

33. Sy003764

34. Db-016136

35. Db-016138

36. Ft-0604387

37. Ft-0604420

38. 2,3-bis[(phenylcarbonyl)oxy]butanedioic Acid

39. D-1455

40. 066a663

41. L016298

42. Butanedioic Acid,3-bis(benzoyloxy)-, [r-(r*,r*)]-

43. 100632-52-8

44. 93656-02-1

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 358.3 g/mol
Molecular Formula C18H14O8
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass358.06886740 g/mol
Monoisotopic Mass358.06886740 g/mol
Topological Polar Surface Area127 Ų
Heavy Atom Count26
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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