1,16-Hexadecanedioic acid

Chemistry, Description

Chemistry
Description

Also known as: 505-54-4, Thapsic acid, 1,16-hexadecanedioic acid, 1,14-tetradecanedicarboxylic acid, Dicarboxylic acid c16, Hexadecane-1,16-dioic acid

Molecular Formula

C₁₆H₃₀O₄

Molecular Weight

286.41 g/mol

InChI Key

QQHJDPROMQRDLA-UHFFFAOYSA-N

FDA UNII

SVZ90045Y2

Hexadecanedioic acid is a metabolite found in the aging mouse brain.

1 2D Structure

1,16-Hexadecanedioic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

hexadecanedioic acid

2.1.2 InChI

InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20)

2.1.3 InChI Key

QQHJDPROMQRDLA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C(CCCCCCCC(=O)O)CCCCCCC(=O)O

2.2 Other Identifiers

2.2.1 UNII

SVZ90045Y2

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 505-54-4

2. Thapsic Acid

3. 1,16-hexadecanedioic Acid

4. 1,14-tetradecanedicarboxylic Acid

5. Dicarboxylic Acid C16

6. Hexadecane-1,16-dioic Acid

7. Thaspic Acid

8. Svz90045y2

9. N-tetradecane-.omega.,.omega.'-dicarboxylic Acid

10. Nsc15164

11. Mfcd00002746

12. Nsc-15164

13. 1,16-hexadecanedioate

14. Hexadecanedioicacid

15. Thapsate

16. Hexadecandioic Acid

17. 1,14-tetradecane Dicarboxylic Acid

18. Einecs 208-013-5

19. Nsc 15164

20. N-tetradecane-omega,omega'-dicarboxylic Acid

21. A,w-tetradecanedicarboxylate

22. Hexadecanedioic Acid, 96%

23. Schembl36069

24. 1,14-tetradecanedicarboxylate

25. Unii-svz90045y2

26. Megxp0_000578

27. A,w-tetradecanedicarboxylic Acid

28. Chembl4519590

29. Dtxsid2060129

30. Chebi:73722

31. N-tetradecane-w,w'-dicarboxylate

32. Bcp25937

33. Zinc3861298

34. Lmfa01170022

35. N-tetradecane-w,w'-dicarboxylic Acid

36. S6147

37. Akos015839798

38. Cs-w018947

39. Hy-w018161

40. Ac-32524

41. As-11659

42. Sy047592

43. Thapsic Acid;hexadecanedioate;palmitic Acid

44. Db-051793

45. Am20100234

46. Ft-0601008

47. H0293

48. Hexadecanedioic Acid, Purum, >=98.0% (gc)

49. C19615

50. 505h544

51. A828170

52. Q27144068

53. Rf8

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₃₀O₄
Molecular Weight	286.41 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	15
Exact Mass	286.21440943 g/mol
Monoisotopic Mass	286.21440943 g/mol
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	225
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 505-54-4 manufacturers and suppliers on PharmaCompass

1,16-Hexadecanedioic Acid

1,16-Hexadecanedioic Acid

Chemistry

Description

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