CAS-2743-38-6

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4 Related Intermediates

Chemistry

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Also known as: 2743-38-6, Dibenzoyltartaric acid, (2r,3r)-2,3-bis(benzoyloxy)succinic acid, (-)-dibenzoyl-l-tartaric acid, Butanedioic acid, 2,3-bis(benzoyloxy)-, (2r,3r)-, (-)-2,3-dibenzoyl-l-tartaric acid

Molecular Formula

C₁₈H₁₄O₈

Molecular Weight

358.3 g/mol

InChI Key

YONLFQNRGZXBBF-ZIAGYGMSSA-N

FDA UNII

3Q14B666VM

1 2D Structure

CAS 2743-38-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3R)-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)/t13-,14-/m1/s1

2.1.3 InChI Key

YONLFQNRGZXBBF-ZIAGYGMSSA-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

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

3Q14B666VM

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2,3-bis(benzoyloxy)tartaric Acid

2. D-2,3-dibenzoyltartaric Acid

3. Dibenzoyltartaric Acid

4. Snc 86

5. Snc-86

6. Snc86

2.3.2 Depositor-Supplied Synonyms

1. 2743-38-6

2. Dibenzoyltartaric Acid

3. (2r,3r)-2,3-bis(benzoyloxy)succinic Acid

4. (-)-dibenzoyl-l-tartaric Acid

5. Butanedioic Acid, 2,3-bis(benzoyloxy)-, (2r,3r)-

6. (-)-2,3-dibenzoyl-l-tartaric Acid

7. Dibenzoyltartric Acid

8. (2r,3r)-2,3-dibenzoyloxybutanedioic Acid

9. (-)-o,o'-dibenzoyl-l-tartaric Acid

10. Dibenzoyl D-tartaric Acid

11. 3q14b666vm

12. (-)-dibenzoyl Tartaric Acid

13. O,o-dibenzoyl-(+)-tartaric Acid

14. L-dibenzoyltartaric Acid

15. (-)-dibenzoyl-l(+)-tartaric Acid

16. (-)-dibenzoyltartaric Acid

17. 2,3-bis(benzoyloxy)tartaric Acid

18. Tartaric Acid, Dibenzoate, (-)-

19. 62708-56-9

20. Tartaric Acid, Dibenzoate

21. Einecs 220-374-0

22. L-dibenzoyl Tartaric Acid

23. Nsc 118224

24. Brn 0709854

25. Unii-3q14b666vm

26. (2r,3r)-2,3-bis(benzoyloxy)butanedioic Acid

27. Nsc-118224

28. 2,3-bis(benzoyloxy)-butanedioic Acid, (r-(r*,r*))-

29. Butanedioic Acid, 2,3-bis(benzoyloxy)-, (r-(r*,r*))-

30. Ec 220-374-0

31. Dsstox_cid_13401

32. Dsstox_rid_79071

33. L-dbta-tartaric Acid

34. Dsstox_gsid_33401

35. Dibenzoyl-(+)-tartaric Acid

36. 3-09-00-00870 (beilstein Handbook Reference)

37. Mls001055407

38. Schembl221678

39. L-(-)-di-benzoyltartaric Acid

40. (2r,3r)-2,3-bis(benzoyloxy)butanedioic Acid (dibenzoyltartric Acid)

41. Chembl1464055

42. Dtxsid6033401

43. (-)-o,o'-dibenzoyltartaric Acid

44. Dibenzoyl-l-tartaric Acid, 98%

45. Hms3039m05

46. L-di-o-benzoyltartaric Acid

47. Cs-d1145

48. Zinc1545269

49. Tox21_201220

50. 2-o,3-o-dibenzoyl-l-tartaric Acid

51. Mfcd00003074

52. (-)-l-dibenzoyltartaric Acid

53. Akos000277983

54. L-(-)-o,o'-dibenzoyl Tartaric Acid

55. Ac-3430

56. Am81406

57. Dibenzoyl-l-(-)-tartaric Acid

58. L-(-)-0,0'-dibenzoyl Tartaric Acid

59. L-(-)-dibenzoyl Tartaric Acid

60. Nsc 338494

61. Ncgc00091026-01

62. Ncgc00091026-02

63. Ncgc00258772-01

64. (2r,3r)-(-)-dibenzoyl-l-tartaric Acid

65. As-10935

66. Ramipril Impurity M [ep Impurity]

67. Smr001227193

68. (-)-dibenzoyl-l-tartaric Acid, Anhydrous

69. Cas-2743-38-6

70. L(-)-o,o'-dibenzoyl-tataric Acid

71. O,o'-dibenzoyl-l-tartaric Acid Anhydrous

72. (2r,3r)-di-o-benzoyltartaric Acid

73. L(-)-o,o'-dibenzoyl-tartaric Acid

74. D1354

75. D3492

76. (2r,3r)-(-)-dibenzoyl-l-tartaric Acid Anhydrous

77. J-500963

78. Q27257884

2.4 Create Date

2005-07-11

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₄O₈
Molecular Weight	358.3 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	358.06886740 g/mol
Monoisotopic Mass	358.06886740 g/mol
Topological Polar Surface Area	127 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	483
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