Also known as: 200880-42-8, 1,2-distearoyl-sn-glycero-3-phospho-rac-(1-glycerol) sodium salt, 1,2-dioctadecanoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium salt), Sodium;2,3-dihydroxypropyl [(2r)-2,3-di(octadecanoyloxy)propyl] phosphate, 1,2-distearoyl-sn-glycero-3-phosphoglycerol, 771667q09x

Molecular Formula

C₄₂H₈₂NaO₁₀P

Molecular Weight

801.1 g/mol

InChI Key

YNQYZBDRJZVSJE-QTOMIGAPSA-M

FDA UNII

771667Q09X

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C42H83O10P.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h39-40,43-44H,3-38H2,1-2H3,(H,47,48);/q;+1/p-1/t39?,40-;/m1./s1

2.1.3 InChI Key

YNQYZBDRJZVSJE-QTOMIGAPSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

771667Q09X

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 200880-42-8

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

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

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

5. 1,2-distearoyl-sn-glycero-3-phosphoglycerol

6. 771667q09x

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

8. 1,2-distearoyl-sn-glycero-3-phospho-rac-glycerol Sodium Salt

9. 1,2-distearoyl-sn-glycero-3-phosphatidylglycerol (sodium)

10. Sodium 1,2-distearoyl-sn-glycero-3-phospho-(1'-rac-glycerol)

11. 67232-82-0

12. 1,2-dioctadecanoyl-sn-glycero-3-phospho-(1'-rac-glycerol) Sodium Salt

13. Dspg-na

14. Unii-771667q09x

15. 1,2-distearoyl-sn-glycero-3-phosphoglycerol,sodium Salt

16. Dspg-na, L-

17. Dspg-na, R-

18. Dtxsid80173908

19. Mfcd00077290

20. Akos015833420

21. Bp-26317

22. Hy-145742

23. Cs-0380628

24. D5648

25. E78022

26. J-013003

27. Q27266534

28. 1,2-distearoyl-sn-glycero-3-phosphoglycerol, Sodium Salt

29. Sodium (r)-2,3-bis(stearoyloxy)propyl 2,3-dihydroxypropyl Phosphate

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

31. Sodium (r)-2,3-bis(stearoyloxy)propyl (2,3-dihydroxypropyl) Phosphate

32. 1,2-distearoyl-sn-glycero-3-phospho-rac-(1-glycerol) Sodium Salt, >=97.0% (tlc)

33. 1-o,2-o-distearoyl-3-o-[2,3-dihydroxypropoxy(sodiooxy)phosphinyl]-l-glycerol

2.4 Create Date

2010-09-24

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₈₂NaO₁₀P
Molecular Weight	801.1 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	44
Exact Mass	800.55433009 g/mol
Monoisotopic Mass	800.55433009 g/mol
Topological Polar Surface Area	152 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	865
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

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