Calcium Aspartate

Synopsis, 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

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 Formula	C₄H₅CaNO₄
Molecular Weight	171.16 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	170.9844485 g/mol
Monoisotopic Mass	170.9844485 g/mol
Topological Polar Surface Area	106 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	122
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2