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    Chemistry

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    Also known as: Calcium aspartate, Aspartate calcium, 21059-46-1, 10389-09-0, Aspartic acid (calcium), Calcium aspartate anhydrous
    Molecular Formula
    C4H5CaNO4
    Molecular Weight
    171.16  g/mol
    InChI Key
    OPSXJNAGCGVGOG-DKWTVANSSA-L
    FDA UNII
    T9680JD4IY
    Calcium Aspartate
    One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.
    1 2D Structure

    Calcium Aspartate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    calcium;(2S)-2-aminobutanedioate
    2.1.2 InChI
    InChI=1S/C4H7NO4.Ca/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+2/p-2/t2-;/m0./s1
    2.1.3 InChI Key
    OPSXJNAGCGVGOG-DKWTVANSSA-L
    2.1.4 Canonical SMILES
    C(C(C(=O)[O-])N)C(=O)[O-].[Ca+2]
    2.1.5 Isomeric SMILES
    C([C@@H](C(=O)[O-])N)C(=O)[O-].[Ca+2]
    2.2 Other Identifiers
    2.2.1 UNII
    T9680JD4IY
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. (+-)-aspartic Acid

    2. (r,s)-aspartic Acid

    3. Ammonium Aspartate

    4. Aspartate

    5. Aspartate Magnesium Hydrochloride

    6. Aspartate, Ammonium

    7. Aspartate, Calcium

    8. Aspartate, Dipotassium

    9. Aspartate, Disodium

    10. Aspartate, Magnesium

    11. Aspartate, Monopotassium

    12. Aspartate, Monosodium

    13. Aspartate, Potassium

    14. Aspartate, Sodium

    15. Aspartic Acid

    16. Aspartic Acid, Ammonium Salt

    17. Aspartic Acid, Calcium Salt

    18. Aspartic Acid, Dipotassium Salt

    19. Aspartic Acid, Disodium Salt

    20. Aspartic Acid, Hydrobromide

    21. Aspartic Acid, Hydrochloride

    22. Aspartic Acid, Magnesium (1:1) Salt, Hydrochloride, Trihydrate

    23. Aspartic Acid, Magnesium (2:1) Salt

    24. Aspartic Acid, Magnesium-potassium (2:1:2) Salt

    25. Aspartic Acid, Monopotassium Salt

    26. Aspartic Acid, Monosodium Salt

    27. Aspartic Acid, Potassium Salt

    28. Aspartic Acid, Sodium Salt

    29. Calcium Aspartate

    30. Dipotassium Aspartate

    31. Disodium Aspartate

    32. L Aspartate

    33. L Aspartic Acid

    34. L-aspartate

    35. L-aspartic Acid

    36. Magnesiocard

    37. Magnesium Aspartate

    38. Mg-5-longoral

    39. Monopotassium Aspartate

    40. Monosodium Aspartate

    41. Potassium Aspartate

    42. Sodium Aspartate

    2.3.2 Depositor-Supplied Synonyms

    1. Calcium Aspartate

    2. Aspartate Calcium

    3. 21059-46-1

    4. 10389-09-0

    5. Aspartic Acid (calcium)

    6. Calcium Aspartate Anhydrous

    7. Calcium;(2s)-2-aminobutanedioate

    8. Calciretard

    9. L-aspartic Acid Calcium Salt (1:1)

    10. L-aspartic Acid, Calcium Salt (1:1)

    11. Aspartic Acid, Calcium Salt (1:1), L-

    12. T9680jd4iy

    13. Chebi:31337

    14. Calcium-l-aspartate

    15. Calciuml-aspartate

    16. Aspartic Acid Calcium

    17. Ca-1-d1-aspartate

    18. Calcium L-aspartate [jan]

    19. Unii-t9680jd4iy

    20. Einecs 244-185-8

    21. Calcium Mono Aspartate

    22. Aspartic Acid, Calcium Salt, L-

    23. Calcium Aspartate, 20%

    24. Flouride Amino Acid Chelate

    25. Calcium Aspartate(food Grade)

    26. Schembl120545

    27. Calcium (2s)-2-aminosuccinate

    28. Calcium Aspartate [inci]

    29. Chembl2106115

    30. Hy-n0666b

    31. Dtxsid60908654

    32. Aspartate Calcium [who-dd]

    33. Akos015899585

    34. Cs-7641

    35. Q27114279

    2.4 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 171.16 g/mol
    Molecular Formula C4H5CaNO4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass170.9844485 g/mol
    Monoisotopic Mass170.9844485 g/mol
    Topological Polar Surface Area106 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity122
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2

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    20-Oct-2021
    28-Feb-2024
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