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    Saccharic Acid Calcium

    ACTIVE PHARMA INGREDIENTS

    MARKET PLACE

    PharmaCompass
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    2D Structure
    Also known as: Calcium saccharate, 5793-88-4, Saccharic acid calcium
    Molecular Formula
    C6H8CaO8
    Molecular Weight
    248.20  g/mol
    InChI Key
    UGZVNIRNPPEDHM-SBBOJQDXSA-L
    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
    calcium;(2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate
    2.1.2 InChI
    InChI=1S/C6H10O8.Ca/c7-1(3(9)5(11)12)2(8)4(10)6(13)14;/h1-4,7-10H,(H,11,12)(H,13,14);/q;+2/p-2/t1-,2-,3-,4+;/m0./s1
    2.1.3 InChI Key
    UGZVNIRNPPEDHM-SBBOJQDXSA-L
    2.1.4 Canonical SMILES
    C(C(C(C(=O)[O-])O)O)(C(C(=O)[O-])O)O.[Ca+2]
    2.1.5 Isomeric SMILES
    [C@H]([C@@H]([C@@H](C(=O)[O-])O)O)([C@H](C(=O)[O-])O)O.[Ca+2]
    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

    27. Tetrahydroxyadipic Acid

    2.2.2 Depositor-Supplied Synonyms

    1. Calcium Saccharate

    2. 5793-88-4

    3. Saccharic Acid Calcium

    2.3 Create Date
    2009-07-21
    3 Chemical and Physical Properties
    Molecular Weight 248.20 g/mol
    Molecular Formula C6H8CaO8
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count0
    Exact Mass247.9845081 g/mol
    Monoisotopic Mass247.9845081 g/mol
    Topological Polar Surface Area161 Ų
    Heavy Atom Count15
    Formal Charge0
    Complexity207
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2