POPG

Synopsis, Chemistry

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Also known as: Popg na, l-, Popg na, r-, Popg-na, l-, Popg-na, r-, 268550-95-4, 202070-86-8

Molecular Formula

C₄₀H₇₆NaO₁₀P

Molecular Weight

771.0 g/mol

InChI Key

FJXDNGDRHUDFST-XQYKCTAGSA-M

FDA UNII

T52TI8BMQ6

1 2D Structure

POPG

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2,3-dihydroxypropyl [(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxypropyl] phosphate

2.1.2 InChI

InChI=1S/C40H77O10P.Na/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2;/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46);/q;+1/p-1/b18-17-;/t37?,38-;/m1./s1

2.1.3 InChI Key

FJXDNGDRHUDFST-XQYKCTAGSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCC=CCCCCCCCC.[Na+]

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC/C=C\CCCCCCCC.[Na+]

2.2 Other Identifiers

2.2.1 UNII

T52TI8BMQ6

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Popg Na, L-

2. Popg Na, R-

3. Popg-na, L-

4. Popg-na, R-

5. 268550-95-4

6. 202070-86-8

7. T52ti8bmq6

8. 1-palmitoyl-2-oleoyl-phosphatidyl-glycerol Sodium

9. Sodium;2,3-dihydroxypropyl [(2r)-3-hexadecanoyloxy-2-[(z)-octadec-9-enoyl]oxypropyl] Phosphate

10. 383907-64-0

11. 1-palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)), Sodium Salt

12. 9-octadecenoic Acid (9z)-, (1r)-1-((((2,3-dihydroxypropoxy)hydroxyphosphinyl)oxy)methyl)-2-((1-oxohexadecyl)oxy)ethyl Ester, Sodium Salt (1:1)

13. Sodium 2,3-dihydroxypropyl ((2r)-3-hexadecanoyloxy-2-((z)-octadec-9-enoyl)oxy-propyl) Phosphate

14. Sodium 1-palmitoyl-2-oleoyl-sn-glycero-3-(phospho-rac-(1-glycerol))

15. 1-palmitoyl-2-oleyl-sn-glycero-3-phospho-rac-(1-glycerol) Sodium Salt

16. Sodium 2,3-dihydroxypropyl ((r)-2-(oleoyloxy)-3-(palmitoyloxy)propyl) Phosphate(z)

17. 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium Salt)

18. Unii-t52ti8bmq6

19. Epg-na

20. Popg-na

21. Starbld0000181

22. 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-sn-1-glycerol Sodium Salt

23. L-a-phosphatidylglycerols (egg)

24. Surfaxin Component Popg, Na

25. Mfcd00674290

26. Lucinactant Component Popg, Na

27. Bp-26321

28. Bp-26334

29. Hy-130463

30. Cs-0108062

31. T72199

32. J-016573

33. Non-hydrogenated Egg Phosphatidylglycerol, Sodium Salt

34. Q27289682

35. Egg Pg, L-alpha-phosphatidylglycerol (egg, Chicken) (sodium Salt), Powder

36. 2-oleoyl-1-palmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) Sodium Salt, >=98.0% (tlc)

37. Egg Pg, L-alpha-phosphatidylglycerol (egg, Chicken) (sodium Salt), Chloroform

38. (2r)-1-(((2,3-dihydroxypropoxy)(hydroxy)phosphoryl)oxy)-3-(palmitoyloxy)propan-2-yl Oleate, Sodium Salt(1:x)

39. 16:0-18:1 Pg, 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium Salt), Powder

40. Phosphoric Acid Sodium 2,3-dihydroxypropyl[(2r)-2-(oleoyloxy)-3-(palmitoyloxy)propyl] Ester Salt

2.4 Create Date

2010-09-24

3 Chemical and Physical Properties

Molecular Formula	C₄₀H₇₆NaO₁₀P
Molecular Weight	771.0 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	41
Exact Mass	770.50737990 g/mol
Monoisotopic Mass	770.50737990 g/mol
Topological Polar Surface Area	152 Å²
Heavy Atom Count	52
Formal Charge	0
Complexity	875
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2