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    CAS 80876-58-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 2,3,4,5-tetrahydroxyhexanedioic acid, Schleimsaure, Galactaric acid, d-, Galactaric-acid-, Nsc8127, 2,3,4,5-tetrahydroxyadipic acid
    Molecular Formula
    C6H10O8
    Molecular Weight
    210.14  g/mol
    InChI Key
    DSLZVSRJTYRBFB-UHFFFAOYSA-N
    A sugar acid derived from D-glucose in which both the aldehydic carbon atom and the carbon atom bearing the primary hydroxyl group are oxidized to carboxylic acid groups.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2,3,4,5-tetrahydroxyhexanedioic acid
    2.1.2 InChI
    InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)
    2.1.3 InChI Key
    DSLZVSRJTYRBFB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Acid, Saccharic

    2. Anhydrous Calcium Glucarate

    3. Anhydrous Calcium Saccharate

    4. Calcium Glucarate

    5. Calcium Glucarate, Anhydrous

    6. Calcium Saccharate

    7. Calcium Saccharate Anhydrous

    8. Calcium Saccharate Tetrahydrate

    9. Calcium Saccharate, Anhydrous

    10. D Glucaric Acid

    11. D Saccharic Acid

    12. D-glucaric Acid

    13. D-saccharic Acid

    14. Glucarate, Anhydrous Calcium

    15. Glucarate, Calcium

    16. Glucaric Acid

    17. Glucosaccharic Acid

    18. L Gularic Acid

    19. L-gularic Acid

    20. Levo Gularic Acid

    21. Levo-gularic Acid

    22. Saccharate Tetrahydrate, Calcium

    23. Saccharate, Anhydrous Calcium

    24. Saccharate, Calcium

    25. Saccharic Acid

    26. Tetrahydrate, Calcium Saccharate

    2.2.2 Depositor-Supplied Synonyms

    1. 2,3,4,5-tetrahydroxyhexanedioic Acid

    2. Schleimsaure

    3. Galactaric Acid, D-

    4. Galactaric-acid-

    5. Nsc8127

    6. 2,3,4,5-tetrahydroxyadipic Acid

    7. 80876-58-0

    8. Nsc-8127

    9. Ncgc00096080-01

    10. D-galactaric Acid #

    11. Spectrum_000129

    12. Specplus_000412

    13. Wln: Qvyqyqyqyqvq

    14. Spectrum2_001454

    15. Spectrum4_001910

    16. Spectrum5_000600

    17. Schembl5497

    18. Glucaric Acid;saccharic Acid

    19. Kbiogr_002506

    20. Kbioss_000589

    21. Divk1c_006508

    22. Spectrum1501211

    23. Spbio_001347

    24. Kbio1_001452

    25. Kbio2_000589

    26. Kbio2_003157

    27. Kbio2_005725

    28. Bcp29834

    29. Ccg-38868

    30. Akos024386337

    31. Sb45456

    32. Sdccgmls-0066970.p001

    33. Ls-13158

    34. Nci60_000682

    35. Wurcs=2.0/1,1,0/[axxxxa]/1/

    36. Db-015672

    37. Ft-0626588

    38. Ft-0670273

    39. Ft-0690188

    40. Sr-05000002451

    41. Sr-05000002451-1

    42. A9c2b0b4-d17a-489a-a900-65ffae0f00b6

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 210.14 g/mol
    Molecular Formula C6H10O8
    XLogP3-2.5
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count5
    Exact Mass210.03756727 g/mol
    Monoisotopic Mass210.03756727 g/mol
    Topological Polar Surface Area156 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity202
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1