18:0 PC (DSPC), 1,2-distearoyl-sn-glycero-3-phosphocholine, powder

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Also known as: 816-94-4, Dspc, Distearoyl phosphatidylcholine, (r)-2,3-bis(stearoyloxy)propyl (2-(trimethylammonio)ethyl) phosphate, Pc(18:0/18:0), 1,2-distearoyl-sn-3-phosphacholine

Molecular Formula

C₄₄H₈₈NO₈P

Molecular Weight

790.1 g/mol

InChI Key

NRJAVPSFFCBXDT-HUESYALOSA-N

FDA UNII

043IPI2M0K

PC(18:0/18:0) is a metabolite found in or produced by Saccharomyces cerevisiae.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R)-2,3-di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

2.1.2 InChI

InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1

2.1.3 InChI Key

NRJAVPSFFCBXDT-HUESYALOSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC

2.2 Other Identifiers

2.2.1 UNII

043IPI2M0K

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2-distearin Sn-3-phosphorylcholine

2. 1,2-distearoyllecithin

3. 1,2-distearoyllecithin, (+-)-isomer

4. 1,2-distearoyllecithin, (r)-isomer

5. 1,2-distearoyllecithin, (s)-isomer

6. 1,2-distearoylphosphatidylcholine

7. 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-3,5,9-trioxa-4-phosphahepta Cosan-1-aminium Hydroxide, Inner Salt, 4-oxide

8. Distearoyl Phosphatidylcholine

9. Distearoyl-sn-glycero-3-phosphocholine

10. Distearoylglycerophosphocholine

11. Distearoylphosphatidylcholine

12. Distearoylphosphatidylcholine, Dl-

13. Dl-dspc

14. Dspc R-isomer

15. L-distearoyllecithin

16. L-dspc

2.3.2 Depositor-Supplied Synonyms

1. 816-94-4

2. Dspc

3. Distearoyl Phosphatidylcholine

4. (r)-2,3-bis(stearoyloxy)propyl (2-(trimethylammonio)ethyl) Phosphate

5. Pc(18:0/18:0)

6. 1,2-distearoyl-sn-3-phosphacholine

7. 1,2-dioctadecanoyl-sn-glycero-3-phosphocholine

8. 1,2-distearoyl-sn-glycero-3-phosphorylcholine

9. 3-sn-phosphatidylcholine

10. Di-stearoyl-phosphatidylcholine

11. 043ipi2m0k

12. Phosphatidylcholine(18:0/18:0)

13. Gpcho(18:0/18:0)

14. [(2r)-2,3-di(octadecanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl Phosphate

15. Nsc-725285

16. Unii-043ipi2m0k

17. (r)-2,3-bis(stearoyloxy)propyl [2-(trimethylammonio)ethyl] Phosphate

18. Einecs 212-440-2

19. L-beta,gamma,disteroyl-alpha-lecithin

20. Mfcd00036905

21. L-alpha-phosphatidylcholine, Distearoyl

22. 1,2-distearoyl-sn-glycerophosphocholine

23. Dspc R-isomer

24. L-distearoyllecithin

25. Schembl24563

26. 1,2-dspc

27. Chebi:83718

28. 18:0 Pc (dspc)

29. Dtxsid20231218

30. Bcp11135

31. Lmgp01010006

32. Nsc725285

33. Distearoyl-l-.alpha.-lecithin

34. Akos016012934

35. Distearoyl Glycerophosphocholine

36. Distearoyl-sn-glycero-3-phosphocholine

37. Cs-w020933

38. Gs-6169

39. Hy-w040193

40. Nsc 725285

41. (r)-(7-lauroyl-4-oxido-10-oxo-3,5,9-trioxa-4-phosphaheptacosyl)trimethylammonium 4-oxide

42. L-alpha-phosphatidyl Choline, Distearoyl

43. 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-3,5,9-trioxa-4-phosphaheptacosan-1-aminium Hydroxide, Inner Salt, 4-oxide, (r)-

44. Bp-25623

45. Gpc(18:0/18:0)

46. D3926

47. Pc (18:0)2

48. 1,2-distearin Sn-3-phosphorylcholine

49. Distearoyl Glycerophosphocholine [inci]

50. Pc 18:0/18:0

51. 1,2-distearoyl-sn-glycero-3-phosphatidylcholine

52. A864508

53. 1,2-diastearoyl-sn-glycero-3-phosphocholine

54. 1,2-distearoyl-sn-glycero-3-phosphocholine, >=99%

55. Q27157143

56. 1,2-distearoyl-sn-glycero-3-phosphocholine [ii]

57. 1,2-distearoyl-sn-glycero-3-phosphocholine (dspc)

58. 1,2-distearoyl-sn-glycero-3-phosphocholine, >=99% (tlc)

59. (2r)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl Phosphate

60. (2r)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl Phosphate

61. 18:0 Pc (dspc), 1,2-distearoyl-sn-glycero-3-phosphocholine, Powder

62. (2-{[(2r)-2,3-bis(octadecanoyloxy)propyl Phosphono]oxy}ethyl)trimethylazanium

63. 3,5,9-trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-, Hydroxide, Inner Salt, 4-oxide, (r)-

64. 3,5,9-trioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy-n,n,n-trimethyl-10-oxo-7-((1-oxooctadecyl)oxy)-, Inner Salt, 4-oxide, (7r)-

2.3.3 Other Synonyms

1. Dioctadecanoyllecithin

2. 18603-43-5

3. 1,2-distearoyl-rac-glycero-3-phosphocholine

4. 2,3-di(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl Phosphate

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₄₄H₈₈NO₈P
Molecular Weight	790.1 g/mol
XLogP3	15.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	44
Exact Mass	789.62475576 g/mol
Monoisotopic Mass	789.62475576 g/mol
Topological Polar Surface Area	111 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	888
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

18:0 PC (DSPC), 1,2-distearoyl-sn-glycero-3-phosphocholine, Powder

18:0 PC (DSPC), 1,2-distearoyl-sn-glycero-3-phosphocholine, powder

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