Sodium Dl-3-Hydroxybutyrate

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Also known as: 150-83-4, Sodium 3-hydroxybutanoate, Dl-3-hydroxybutyric acid sodium salt, 306-31-0, Sodium;3-hydroxybutanoate, Sodium beta-hydroxybutyrate

Molecular Formula

C₄H₇NaO₃

Molecular Weight

126.09 g/mol

InChI Key

NBPUSGBJDWCHKC-UHFFFAOYSA-M

FDA UNII

19AN4ZH292

1 2D Structure

Sodium Dl-3-Hydroxybutyrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;3-hydroxybutanoate

2.1.2 InChI

InChI=1S/C4H8O3.Na/c1-3(5)2-4(6)7;/h3,5H,2H2,1H3,(H,6,7);/q;+1/p-1

2.1.3 InChI Key

NBPUSGBJDWCHKC-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CC(CC(=O)[O-])O.[Na+]

2.2 Other Identifiers

2.2.1 UNII

19AN4ZH292

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 150-83-4

2. Sodium 3-hydroxybutanoate

3. Dl-3-hydroxybutyric Acid Sodium Salt

4. 306-31-0

5. Sodium;3-hydroxybutanoate

6. Sodium Beta-hydroxybutyrate

7. Dl-3-hydroxybutyric Acid, Sodium Salt

8. Butanoic Acid, 3-hydroxy-, Monosodium Salt

9. 3-hydroxybutyric Acid (sodium)

10. 19an4zh292

11. Dl-beta-hydroxybutyric Acid Sodium Salt

12. Butyric Acid, 3-hydroxy-, Monosodium Salt, (+/-)

13. 3-hydroxybutyric Acid Sodium Salt

14. Sodium 3-oxidanylbutanoate

15. (+/-)-sodium 3-hydroxybutyrate

16. Beta-hydroxybutyrate Sodium Salt

17. 1219804-68-8

18. Rac 3-hydroxybutyric Acid-d4 Sodium Salt

19. Sodium Dl-beta-hydroxybutyrate

20. Unii-19an4zh292

21. Mfcd00077788

22. Einecs 205-774-5

23. Dl-3-hydroxybutyricacidsodiumsalt

24. (+-)-3-hydroxybutanoic Acid Monosodium Salt

25. Butanoic Acid,3-hydroxy-, Sodium Salt (1:1)

26. Sodium Beta-hydroxybutanoate

27. 3-hydroxybutyric Acid Sodium

28. Sodium Dl-3-hydroxybutyrate

29. Schembl194589

30. Butanoic Acid, 3-hydroxy-, Monosodium Salt, (+-)-

31. Bet.-hydroxybutyrate Sodium Salt

32. Chembl3973787

33. Chebi:113373

34. Dtxsid201044130

35. Hms3369g04

36. Hms3373c05

37. 3-hydroxybutyric Acid, Sodium Salt

38. Amy10052

39. Mfcd00016716

40. Sodium .beta.-hydroxybutyrate

41. Akos015915737

42. Sodium 3-hydroxybutyrate, Dl-

43. Cs-w011168

44. Hy-w010452

45. Rac 3-hydroxybutyric Acid Sodium Salt

46. Sodium (+/-)-3-hydroxybutyrate

47. Sy107283

48. (+/-)-3-hydroxybutanoic Acid Sodium Salt

49. 3-hydroxybutanoic Acid Sodium Salt (1:1)

50. Ds-017796

51. Butanoic Acid,3-hydroxy-,sodium Salt(1:1)

52. Ft-0605057

53. Ft-0615838

54. Ft-0650657

55. Ft-0650956

56. Ft-0669446

57. Ft-0669447

58. H0231

59. Rac 3-hydroxybutyric Acid-[d4] Sodium Salt

60. .beta.-hydroxybutyric Acid Sodium Salt

61. H-4000

62. H-4001

63. H10236

64. (r)-(-)-3-hydroxybutyricacid,sodiumsalt

65. A805718

66. A807034

67. A809079

68. A908671

69. Q27193848

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₄H₇NaO₃
Molecular Weight	126.09 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	126.02928836 g/mol
Monoisotopic Mass	126.02928836 g/mol
Topological Polar Surface Area	60.4 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	73.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2