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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: D-gluconic acid, 526-95-4, Dextronic acid, Maltonic acid, Glycogenic acid, (2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoic acid

Molecular Formula

C₆H₁₂O₇

Molecular Weight

196.16 g/mol

InChI Key

RGHNJXZEOKUKBD-SQOUGZDYSA-N

FDA UNII

R4R8J0Q44B

Gluconic acid is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

D-Gluconic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid

2.1.2 InChI

InChI=1S/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)/t2-,3-,4+,5-/m1/s1

2.1.3 InChI Key

RGHNJXZEOKUKBD-SQOUGZDYSA-N

2.1.4 Canonical SMILES

C(C(C(C(C(C(=O)O)O)O)O)O)O

2.1.5 Isomeric SMILES

C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O

2.2 Other Identifiers

2.2.1 UNII

R4R8J0Q44B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Boron Gluconate

2. D-gluconate

3. D-gluconic Acid

4. Dextronic Acid

5. Gluconate

6. Gluconic Acid, (113)indium-labeled

7. Gluconic Acid, (14)c-labeled

8. Gluconic Acid, (159)dysprosium-labeled Salt

9. Gluconic Acid, (99)technecium (5+) Salt

10. Gluconic Acid, 1-(14)c-labeled

11. Gluconic Acid, 6-(14)c-labeled

12. Gluconic Acid, Aluminum (3:1) Salt

13. Gluconic Acid, Ammonium Salt

14. Gluconic Acid, Calcium Salt

15. Gluconic Acid, Cesium(+3) Salt

16. Gluconic Acid, Cobalt (2:1) Salt

17. Gluconic Acid, Copper Salt

18. Gluconic Acid, Fe(+2) Salt, Dihydrate

19. Gluconic Acid, Lanthanum(+3) Salt

20. Gluconic Acid, Magnesium (2:1) Salt

21. Gluconic Acid, Manganese (2:1) Salt

22. Gluconic Acid, Monolithium Salt

23. Gluconic Acid, Monopotassium Salt

24. Gluconic Acid, Monosodium Salt

25. Gluconic Acid, Potassium Salt

26. Gluconic Acid, Sodium Salt

27. Gluconic Acid, Strontium (2:1) Salt

28. Gluconic Acid, Tin(+2) Salt

29. Gluconic Acid, Zinc Salt

30. Lithium Gluconate

31. Magnerot

32. Magnesium Gluconate

33. Maltonic Acid

34. Manganese Gluconate

35. Pentahydroxycaproic Acid

36. Sodium Gluconate

37. Zinc Gluconate

2.3.2 Depositor-Supplied Synonyms

1. D-gluconic Acid

2. 526-95-4

3. Dextronic Acid

4. Maltonic Acid

5. Glycogenic Acid

6. (2r,3s,4r,5r)-2,3,4,5,6-pentahydroxyhexanoic Acid

7. Glosanto

8. Pentahydroxycaproic Acid

9. Gluconate

10. Gluconic Acid, D-

11. D-gluco-hexonic Acid

12. Gluconic Acid (van)

13. 133-42-6

14. D-gluconsaeure

15. D-glukonsaeure

16. Brn 1726055

17. D-gluconic Acid Solution

18. D-gluconic Acid, Homopolymer

19. Glyconic Acid

20. Hexonic Acid

21. R4r8j0q44b

22. Chebi:33198

23. Dextronate

24. Glycogenate

25. Glyconate

26. Maltonate

27. 157663-13-3

28. Gluconic Acid (contains Gluconolactone)

29. Nsc 77381

30. 124423-64-9

31. Gco

32. Ammonium Gluconate

33. 2,3,4,5,6-pentahydroxyhexanoate

34. Hsdb 487

35. 19222-41-4

36. Einecs 208-401-4

37. Unii-r4r8j0q44b

38. Sodium-gluconate

39. Ketogluconic Acid

40. Nsc-77381

41. D-?gluconic Acid

42. Pentahydroxycaproate

43. Gluconal Ga-50

44. Dsstox_cid_7169

45. Schembl971

46. Bmse000084

47. Ec 208-401-4

48. Gluconic Acid [mi]

49. Dsstox_rid_78332

50. Dsstox_gsid_27169

51. Gluconic Acid [hsdb]

52. Gluconic Acid [inci]

53. 4-03-00-01255 (beilstein Handbook Reference)

54. Gluconic Acid [vandf]

55. Gluconic Acid [mart.]

56. Chembl464345

57. Ins No.574

58. D-gluconic Acid 50% In Water

59. Gluconic Acid [who-dd]

60. Dtxsid8027169

61. Dtxsid8042000

62. Ins-574

63. Gluconicacid(containsgluconolactone)

64. Hy-y0569

65. Zinc1531008

66. 2,3,4,5,6-pentahydroxy-hexanoate

67. Tox21_202745

68. Mfcd00004240

69. S3595

70. 2,3,4,5,6-pentahydroxycaproic Acid

71. Akos015895892

72. D-gluconic Acid - 45-50% In Water

73. Db13180

74. 2,3,4,5,6-pentahydroxy-hexanoic Acid

75. Ncgc00260293-01

76. Cas-526-95-4

77. E574

78. Cs-0015343

79. E-574

80. G0036

81. 2,3,4,5,6-pentahydroxycaproic Acid Solution

82. C00257

83. D70789

84. D-gluconic Acid Solution, 49-53 Wt. % In H2o

85. Q407569

86. W-109086

87. Wurcs=2.0/1,1,0/[a2122h]/1/

88. D-gluconic Acid Solution, Saj First Grade, 50% In H2o

89. 6e52b5fc-5676-4139-977a-4d643eddb159

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₂O₇
Molecular Weight	196.16 g/mol
XLogP3	-3.4
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	196.05830272 g/mol
Monoisotopic Mass	196.05830272 g/mol
Topological Polar Surface Area	138 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	170
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

For use as part of electrolyte supplementation in total parenteral nutrition.

5 Pharmacology and Biochemistry

5.1 Pharmacology

Used as part of electrolyte salts to maintain cation-anion balance in solutions.

5.2 Absorption, Distribution and Excretion

(99)TCM-LABELED GLUCONATE WAS ACCUMULATED RELATIVELY EARLY IN THE KIDNEY, AND ESP IN THE URINARY TRACT.

KOGA I ET AL; RADIOISOTOPES 25 (7): 381 (1976)

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ACTIVE PHARMA INGREDIENTS

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$ API Reference Price

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API REF. PRICE (USD/KG)

$ 59

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