CAS 13811-71-7

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2 End Use APIs
17 Related Intermediates

Chemistry

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Also known as: 13811-71-7, (-)-diethyl d-tartrate, Diethyl d-tartrate, Diethyl d-(-)-tartrate, Diethyl (2s,3s)-2,3-dihydroxybutanedioate, (-)-diethyl-d-tartrate

Molecular Formula

C₈H₁₄O₆

Molecular Weight

206.19 g/mol

InChI Key

YSAVZVORKRDODB-WDSKDSINSA-N

1 2D Structure

CAS 13811-71-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

diethyl (2S,3S)-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-/m0/s1

2.1.3 InChI Key

YSAVZVORKRDODB-WDSKDSINSA-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 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 13811-71-7

2. (-)-diethyl D-tartrate

3. Diethyl D-tartrate

4. Diethyl D-(-)-tartrate

5. Diethyl (2s,3s)-2,3-dihydroxybutanedioate

6. (-)-diethyl-d-tartrate

7. Mfcd00064451

8. (2s,3s)(-)-dihydroxybutane-1,4-dioic Acid Diethyl Ester

9. D-(-)-tartaric Acid Diethyl Ester

10. Diethyl (s-(r*,r*))-tartrate

11. Einecs 237-458-8

12. Diethyl (d)-tartrate

13. D-tartaric Acid Diethyl

14. Diethyl (s,s)-tartrate

15. 1,4-diethyl (2s,3s)-2,3-dihydroxybutanedioate

16. (s,s)-diethyl Tartrate

17. Diethyl (-)-d-tartrate

18. (+/-)-diethyl Tartrate

19. Schembl112149

20. (s,s)-(-)-diethyl Tartrate

21. Dtxsid6058689

22. (2s,3s)-(-)-diethyl Tartrate

23. Dtxsid801021118

24. Zinc1648298

25. (-)-diethyl D-tartrate, >=99%

26. Ac7856

27. Akos015920333

28. Ac-3437

29. Am81414

30. Cs-w020598

31. Ds-12477

32. T1195

33. 811d717

34. J-501027

35. Q55078682

36. F1905-7030

2.3 Create Date

2005-08-08

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