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ACTIVE PHARMA INGREDIENTS

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3 USDMF

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Chemistry

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Also known as: 200880-41-7, 67232-81-9, Dppg (sodium), 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt), 841b886ej7, 1,2-dipalmitoyl-sn-glycero-3-phosphorylglycerol sodium salt

Molecular Formula

C₃₈H₇₄NaO₁₀P

Molecular Weight

745.0 g/mol

InChI Key

LDWIWSHBGAIIMV-ODZMYOIVSA-M

FDA UNII

841B886EJ7

1 2D Structure

1,2-Dipalmitoyl-sn-glycero-3-phospho-(1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;[(2R)-2,3-di(hexadecanoyloxy)propyl] 2,3-dihydroxypropyl phosphate

2.1.2 InChI

InChI=1S/C38H75O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h35-36,39-40H,3-34H2,1-2H3,(H,43,44);/q;+1/p-1/t35?,36-;/m1./s1

2.1.3 InChI Key

LDWIWSHBGAIIMV-ODZMYOIVSA-M

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC.[Na+]

2.2 Other Identifiers

2.2.1 UNII

841B886EJ7

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 200880-41-7

2. 67232-81-9

3. Dppg (sodium)

4. 1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium Salt)

5. 841b886ej7

6. 1,2-dipalmitoyl-sn-glycero-3-phosphorylglycerol Sodium Salt

7. Sodium 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol)

8. 1,2-dihexadecanoyl-sn-glycero-3-[phospho-rac-(1-glycerol)]sodiumsalt

9. Sodium;[(2r)-2,3-di(hexadecanoyloxy)propyl] 2,3-dihydroxypropyl Phosphate

10. 1,2-dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) Sodium Salt

11. Hexadecanoic Acid, 1,1'-((1r)-1-((((2,3-dihydroxypropoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl) Ester, Sodium Salt (1:1)

12. 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol)

13. Dppg-na

14. Unii-841b886ej7

15. L-dppg-na

16. R-dppg-na

17. Dppg-na, L-

18. Dppg-na, R-

19. Mg-6060ls

20. Dtxsid20173907

21. Akos037646929

22. Db14105

23. As-71552

24. Bp-26314

25. Hy-125940

26. Cs-0103209

27. F74530

28. Q27269465

29. 1,2-dipalmitoyl-sn-glycero-3-phosphoglycerol, Sodium Salt

30. 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'-rac-glycerol) Sodium Salt

31. 1,2-dipalmitoyl-sn-glycero-3-phospho-(1-rac-glycerol)(sodium Salt)

32. 1,2-dipalmitoyl-sn-glycero-3-phosphoglycerol Sodium Salt(dppg,na)

33. Sodium (2r)-2,3-bis(palmitoyloxy)propyl 2,3-dihydroxypropyl Phosp Hate

34. Sodium (r)-2,3-bis(palmitoyloxy)propyl (2,3-dihydroxypropyl) Phosphate

35. Sodium (r)-2,3-bis(palmitoyloxy)propyl 2,3-dihydroxypropyl Phosphate

36. 1,2-dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) Sodium Salt, >=96.0% (tlc)

37. 1,2-dipalmitoyl-sn-glycero-3-phospho-rac-(1-glycerol) Sodium Salt, >=99% (tlc)

38. 16:0 Pg (1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium Salt))

39. Sodium (2r)-1-[(2,3-dihydroxypropyl Phosphonato)oxy]-3-(hexadecanoyloxy)propan-2-yl Hexadecanoate

2.4 Create Date

2010-09-24

3 Chemical and Physical Properties

Molecular Formula	C₃₈H₇₄NaO₁₀P
Molecular Weight	745.0 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	40
Exact Mass	744.49172983 g/mol
Monoisotopic Mass	744.49172983 g/mol
Topological Polar Surface Area	152 Å²
Heavy Atom Count	50
Formal Charge	0
Complexity	804
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2