Alpha Hydroxymethionine Calcium

Synopsis, Chemistry

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Also known as: 4857-44-7, 2-hydroxy-4-(methylthio)butyric acid calcium salt, Calcium 2-hydroxy-4-(methylthio)butyrate, Calcium bis(2-hydroxy-4-(methylthio)butyrate), Calcium hydroxymethionine, Desmeninol calcium

Molecular Formula

C₁₀H₁₈CaO₆S₂

Molecular Weight

338.5 g/mol

InChI Key

ABRVDWASZFDIEH-UHFFFAOYSA-L

FDA UNII

1VK0YS654L

1 2D Structure

Alpha Hydroxymethionine Calcium

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

calcium;2-hydroxy-4-methylsulfanylbutanoate

2.1.2 InChI

InChI=1S/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2

2.1.3 InChI Key

ABRVDWASZFDIEH-UHFFFAOYSA-L

2.1.4 Canonical SMILES

CSCCC(C(=O)[O-])O.CSCCC(C(=O)[O-])O.[Ca+2]

2.2 Other Identifiers

2.2.1 UNII

1VK0YS654L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-hydroxy-4-(methylthio)butanoate

2.3.2 Depositor-Supplied Synonyms

1. 4857-44-7

2. 2-hydroxy-4-(methylthio)butyric Acid Calcium Salt

3. Calcium 2-hydroxy-4-(methylthio)butyrate

4. Calcium Bis(2-hydroxy-4-(methylthio)butyrate)

5. Calcium Hydroxymethionine

6. Desmeninol Calcium

7. Butanoic Acid, 2-hydroxy-4-(methylthio)-, Calcium Salt (2:1)

8. 922-50-9

9. Dl-methioninehydroxyanalog Calcium

10. Oh-m

11. Calcium;2-hydroxy-4-methylsulfanylbutanoate

12. 1vk0ys654l

13. Butyric Acid, 2-hydroxy-4-(methylthio)-, Calcium Salt (2:1)

14. Methionine Hydroxy Analogue Calcium Salt

15. Calcium Bis((1)-2-hydroxy-4-(methylthio)butyrate)

16. Mfcd00042725

17. Mha

18. 2-hydroxy-4-(methylthio)butanoate

19. Nsc-1230

20. Nsc 1230

21. Einecs 225-455-4

22. Unii-1vk0ys654l

23. Methioninehydroxyanalog Calcium

24. Calcium .alpha.-hydroxy-.gamma.-methylmercaptobutyrate

25. 2-hydroxy-4-(methylthio)butanoic Acid Calcium Salt

26. Einecs 213-075-1

27. Calcium Alpha-hydroxy-gamma-methylmercaptobutyrate (van)

28. Calcium Desmeninol

29. Schembl1685415

30. Butanoic Acid, 2-hydroxy-4-(methylthio)-, Calcium Salt

31. Dtxsid80919308

32. (+/-)-desmeninol Calcium

33. Bcp11942

34. Calcium Alpha-hydroxy-dl-methionine

35. Desmeninol Calcium [who-dd]

36. Akos015856197

37. Calcium Hydroxymethionine [inci]

38. Methionine Hydroxy Analog-calcium

39. Alpha-hydroxy-dl-methionine Calcium Salt

40. Calcium2-hydroxy-4-(methylthio)butanoate

41. Hydan (methionine Hydroxy Analog)

42. 14676-91-6

43. As-19364

44. Sy036367

45. Calcium 2-hydroxy-4-(methylthio)-butyrate

46. Db-023004

47. Ft-0651898

48. H0651

49. Calcium 4-methylsulfanyl-2-oxidanyl-butanoate

50. A51087

51. A827558

52. Calcium Dl-2-hydroxy-4-methylthiobutyrate

53. 2-hydroxy-4-methylmercaptobutyric Acid Calcium Salt

54. Methionine Hydroxy Analog Calcium Salt [mi]

55. 2-hydroxy-4-(methylthio)butyricacidcalciumsalt

56. Q27252956

57. 2-hydroxy-4-(methylthio)-butanoic Acid Calcium Salt (2:1)

58. Calcium Dl-.alpha.-hydroxy-.gamma.-methylthiobutyrate

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₈CaO₆S₂
Molecular Weight	338.5 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	338.0170715 g/mol
Monoisotopic Mass	338.0170715 g/mol
Topological Polar Surface Area	171 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	88.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3