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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Dicetyl phosphate, Dihexadecyl phosphate, 2197-63-9, Dicetylphosphate, Dicetylphosphoric acid, Dicetyl hydrogen phosphate

Molecular Formula

C₃₂H₆₇O₄P

Molecular Weight

546.8 g/mol

InChI Key

RNPXCFINMKSQPQ-UHFFFAOYSA-N

FDA UNII

2V6E5WN99N

1 2D Structure

Dicetylphosphate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dihexadecyl hydrogen phosphate

2.1.2 InChI

InChI=1S/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)

2.1.3 InChI Key

RNPXCFINMKSQPQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC

2.2 Other Identifiers

2.2.1 UNII

2V6E5WN99N

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Dicetyl Phosphate

2. Dicetylphosphate

3. Dicetylphosphate Potassium Salt

4. Dihexadecyl Phosphate

2.3.2 Depositor-Supplied Synonyms

1. Dicetyl Phosphate

2. Dihexadecyl Phosphate

3. 2197-63-9

4. Dicetylphosphate

5. Dicetylphosphoric Acid

6. Dicetyl Hydrogen Phosphate

7. 1-hexadecanol, Hydrogen Phosphate

8. Bis(hexadecyl) Phosphate

9. Di-n-hexadecyl Phosphate

10. Dipalmityl Phosphate

11. Phosphoric Acid Dihexadecyl Ester

12. Dipalmityl Hydrogen Phosphate

13. 1-hexadecanol Hydrogen Phosphate

14. 1-hexadecanol,1,1'-(hydrogen Phosphate)

15. 2v6e5wn99n

16. Chebi:60424

17. Nsc-12429

18. Phosphoric Acid, Dihexadecyl Ester

19. Einecs 218-594-7

20. Mfcd00008999

21. Nsc 12429

22. Brn 1717117

23. Dhp, Dicetyl Phosphate

24. Epitope Id:156812

25. Unii-2v6e5wn99n

26. Schembl64861

27. Bis(hexadecyloxy)phosphinic Acid

28. Dicetyl Phosphate [inci]

29. Dtxsid7062243

30. Rnpxcfinmksqpq-uhfffaoysa-

31. Amy7721

32. Bcp32676

33. Caa19763

34. Nsc12429

35. Zinc6920414

36. Akos015903310

37. Dicetyl Phosphate;dihexadecyl Phosphate

38. As-60121

39. 1-hexadecanol, 1,1'-(hydrogen Phosphate)

40. Db-045740

41. Cs-0152189

42. Ft-0634112

43. Dicetyl Phosphate, Dihexadecyl Phosphate, Powder

44. A878841

45. J-014386

46. Q27127272

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₆₇O₄P
Molecular Weight	546.8 g/mol
XLogP3	14.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	32
Exact Mass	546.47769761 g/mol
Monoisotopic Mass	546.47769761 g/mol
Topological Polar Surface Area	55.8 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	434
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