CAS 87-91-2

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1 End Use APIs
6 Related Intermediates

Chemistry

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Also known as: 87-91-2, Diethyl l-(+)-tartrate, (2r,3r)-diethyl 2,3-dihydroxysuccinate, (+)-diethyl l-tartrate, L(+)-diethyl l-tartrate, L-(+)-tartaric acid diethyl ester

Molecular Formula

C₈H₁₄O₆

Molecular Weight

206.19 g/mol

InChI Key

YSAVZVORKRDODB-PHDIDXHHSA-N

FDA UNII

OQ72CPY58Z

1 2D Structure

CAS 87-91-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

diethyl (2R,3R)-2,3-dihydroxybutanedioate

2.1.2 InChI

InChI=1S/C8H14O6/c1-3-13-7(11)5(9)6(10)8(12)14-4-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6-/m1/s1

2.1.3 InChI Key

YSAVZVORKRDODB-PHDIDXHHSA-N

2.1.4 Canonical SMILES

CCOC(=O)C(C(C(=O)OCC)O)O

2.1.5 Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C(=O)OCC)O)O

2.2 Other Identifiers

2.2.1 UNII

OQ72CPY58Z

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Diethyl Tartrate

2. Diethyl Tartrate, (s-(r*,r*))-isomer

3. Tartaric Acid Diethyl Ester

2.3.2 Depositor-Supplied Synonyms

1. 87-91-2

2. Diethyl L-(+)-tartrate

3. (2r,3r)-diethyl 2,3-dihydroxysuccinate

4. (+)-diethyl L-tartrate

5. L(+)-diethyl L-tartrate

6. L-(+)-tartaric Acid Diethyl Ester

7. Diethyl-l-tartrate

8. Fema No. 2378

9. Diethyl (2r,3r)-2,3-dihydroxybutanedioate

10. Diethyl 1,2-dihydroxy-1,2-ethanedicarboxylate

11. Nsc 44808

12. Tartaric Acid, Diethyl Ester, (r,r)-

13. Oq72cpy58z

14. L-tartaric Acid Diethyl Ester

15. Butanedioic Acid, 2,3-dihydroxy- (2r,3r)-, Diethyl Ester

16. Diethyl Tartratene

17. Butanedioic Acid, 2,3-dihydroxy- (2r,3r)-, 1,4-diethyl Ester

18. Butanedioic Acid, 2,3-dihydroxy-, Diethyl Ester

19. Diethyl L-tartarate

20. Unii-oq72cpy58z

21. (+)-diethyl-l-tartrate

22. Butanedioic Acid, 2,3-dihydroxy- (r-(r*,r*)), Diethyl Ester

23. Butanedioic Acid, 2,3-dihydroxy- (r-(r*,r*))-, Diethyl Ester

24. Butanedioic Acid, 2,3-dihydroxy- [r-(r*,r*)]-, Diethyl Ester

25. Nsc-44808

26. Einecs 201-783-3

27. Diethyl (2r,3r)-2,3-dihydroxysuccinate

28. Diethyl L(+)-tartrate

29. L-tartaric Acid Diethyl

30. (r,r)-diethyl Tartrate

31. Diethyl L(+)-tartarate

32. Ai3-00683

33. L-diethyl Tartrate

34. Dsstox_cid_31170

35. Dsstox_gsid_52597

36. Diethyl Tartrate [mi]

37. Schembl805601

38. Diethyl Tartrate [fhfi]

39. Dtxsid5052597

40. Diethyl L-tartrate, >=99%, Fg

41. Zinc1648299

42. Tox21_303884

43. (+)-diethyl L-tartrate, >=99%

44. Mfcd00009143

45. (+)-(r,r)-diethyl Tartrate

46. Akos015843327

47. Ac-3436

48. Am81415

49. Cs-w020571

50. Ds-4194

51. Cas-87-91-2

52. (2r,3r)-diethyl2,3-dihydroxysuccinate

53. Ncgc00357142-01

54. (r,r)-tartaric Acid Diethyl Ester

55. T0003

56. A842406

57. Q55078681

58. F0001-2165

59. Diethyl (2r,3r)-2,3-dihydroxybutanedioate;diethyl L-(+)-tartrate

60. Butanedioic Acid, 2,3-dihydroxy- (theta-(theta,theta))-, Diethyl Ester

61. Butanedioic Acid, 2,3-dihydroxy-(r-(r*,r*))-, Diethyl Ester

2.4 Create Date

2006-07-28

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₄O₆
Molecular Weight	206.19 g/mol
XLogP3	-0.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	206.07903816 g/mol
Monoisotopic Mass	206.07903816 g/mol
Topological Polar Surface Area	93.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	180
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