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    CAS 13811-71-7

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    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

    2D Structure

    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