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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Dopg na, l-, Dopg na, r-, Dopg-na, l-, Dopg-na, r-, 67254-28-8, T40u11pg20

Molecular Formula

C₄₂H₇₈NaO₁₀P

Molecular Weight

797.0 g/mol

InChI Key

IUVFCFQZFCOKRC-IPKKNMRRSA-M

FDA UNII

T40U11PG20

1 2D Structure

DOPG

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;[(2R)-2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl] 2,3-dihydroxypropyl phosphate

2.1.2 InChI

InChI=1S/C42H79O10P.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;/h17-20,39-40,43-44H,3-16,21-38H2,1-2H3,(H,47,48);/q;+1/p-1/b19-17-,20-18-;/t39?,40-;/m1./s1

2.1.3 InChI Key

IUVFCFQZFCOKRC-IPKKNMRRSA-M

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=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

T40U11PG20

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,2-dioleoyl-sn-glycero-3-phospho(1-rac-glycerol)

2. 1,2-dioleoyl-sn-glycero-3-phosphoglycerol

3. 1,2-dioleoyl-sn-glycero-3-phosphoglycerol, (r-(r*,s*))-(z)-isomer

4. 1,2-dioleoyl-sn-glycero-3-phosphoglycerol, (z)-isomer

5. 1,2-dioleoylphosphatidylglycerol

6. Di-c18-1(c)-pg

7. Dopg

2.3.2 Depositor-Supplied Synonyms

1. Dopg Na, L-

2. Dopg Na, R-

3. Dopg-na, L-

4. Dopg-na, R-

5. 67254-28-8

6. T40u11pg20

7. 1,2-dioleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)), Sodium Salt

8. 1,2-dioleoyl-sn-glycero-3-phospho-(1'-rac-glycerol), Sodium Salt

9. Sodium;[(2r)-2,3-bis[[(z)-octadec-9-enoyl]oxy]propyl] 2,3-dihydroxypropyl Phosphate

10. 9-octadecenoic Acid (9z)-, 1,1'-(1-((((2,3-dihydroxypropoxy)hydroxyphosphinyl)oxy)methyl)-1,2-ethanediyl) Ester, Sodium Salt (1:1)

11. 1,2-dioleoyl-sn-glycero-3-phospho(1-rac-glycerol)

12. Sodium 1,2-dioleoyl-sn-glycero-3-(phospho-rac-(1-glycerol))

13. Sodium (r)-2,3-bis(oleoyloxy)propyl (2,3-dihydroxypropyl) Phosphate

14. 1,2-dioleoyl-sn-glycero-3-phospho-rac-(1-glycerol) Sodium Salt

15. Unii-t40u11pg20

16. Dopg Sodium Salt

17. Dopg-na

18. 1,2-dioleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium Salt)

19. Mfcd00070069

20. Dioleoylphosphatidylglycerol Sodium Salt

21. Bp-26300

22. D5318

23. Q27289636

24. 1,2-dioleoyl-sn-glycero-3-phosphoglycerol, Sodium Salt

25. 1-boc-4-phenyl-pyrrolidine-2-carbothioicacidamide

26. 1,2-dioleoyl-sn-glycero-3-(phospho-rac-(1-glycerol)) Sodium

27. 1, 2-dioleoyl-sn-glycero-3-phospho-(1'-rac-glycerol),dioleoyl Phosphatidylglycerole

28. 1,2-dioleoyl-sn-glycero-3-phospho-rac-(1-glycerol) Sodium Salt, >=98.0% (tlc)

29. 18:1 (delta9-cis) Pg, 1,2-dioleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium Salt), Chloroform

30. 18:1 (delta9-cis) Pg, 1,2-dioleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) (sodium Salt), Powder

2.3.3 Other Synonyms

1. Dopg

2.4 Create Date

2008-02-05

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₇₈NaO₁₀P
Molecular Weight	797.0 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	42
Exact Mass	796.52302996 g/mol
Monoisotopic Mass	796.52302996 g/mol
Topological Polar Surface Area	152 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	948
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2