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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

CAS 13811-71-7
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 Weight 206.19 g/mol
Molecular Formula C8H14O6
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass206.07903816 g/mol
Monoisotopic Mass206.07903816 g/mol
Topological Polar Surface Area93.1 Ų
Heavy Atom Count14
Formal Charge0
Complexity180
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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