Plurol Oleique

Synopsis, Chemistry

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Also known as: Polyglycerol oleate, Plurol oleique, Hexaglyceryl oleate, Demal 14, Decaglyceryl monooleate, Polyglycerol monooleate

Molecular Formula

C₄₈H₉₄O₂₂

Molecular Weight

1023.2 g/mol

InChI Key

NPTLAYTZMHJJDP-KTKRTIGZSA-N

1 2D Structure

Plurol Oleique

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-[3-[3-[3-[3-[3-[3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropoxy]-2-hydroxypropyl] (Z)-octadec-9-enoate

2.1.2 InChI

InChI=1S/C48H94O22/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-48(60)70-37-47(59)36-69-35-46(58)34-68-33-45(57)32-67-31-44(56)30-66-29-43(55)28-65-27-42(54)26-64-25-41(53)24-63-23-40(52)22-62-21-39(51)20-61-19-38(50)18-49/h9-10,38-47,49-59H,2-8,11-37H2,1H3/b10-9-

2.1.3 InChI Key

NPTLAYTZMHJJDP-KTKRTIGZSA-N

2.1.4 Canonical SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)O)O

2.1.5 Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(COCC(CO)O)O)O)O)O)O)O)O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Polyglycerol Oleate

2. Plurol Oleique

3. Hexaglyceryl Oleate

4. Demal 14

5. Decaglyceryl Monooleate

6. Polyglycerol Monooleate

7. Oleic Acid Polyglyceride

8. Unii-sz1t9d7zkx

9. Sz1t9d7zkx

10. Unii-15b05ty4gx

11. Emcol 12-14-18

12. Unii-55c81w76dh

13. 15b05ty4gx

14. 1,2,3-propanetriol, Homopolymer, (9z)-9-octadecenoate

15. Polyglycerol Ester Of Oleic Acid

16. 55c81w76dh

17. 9-octadecenoic Acid, Monoester With Triglycerol

18. 9-octadecenoic Acid, Monoester With Decaglycerol

19. 9-octadecenoic Acid, Monoester With Hexaglycerol

20. Q27261303

21. 1,2,3-propanetriol, Homopolymer, (z)-9-octadecenoate

22. Oleic Acid, Ester With 1,2,3-propanetriol Homopolymer (1:1)

23. 9-octadecenoic Acid, Monoester With 3,3'-((2-hydroxy-1,3-propanediyl)bis(oxy)bis(1,2-propanediol)

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₄₈H₉₄O₂₂
Molecular Weight	1023.2 g/mol
XLogP3	-0.6
Hydrogen Bond Donor Count	11
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	55
Exact Mass	1022.62367462 g/mol
Monoisotopic Mass	1022.62367462 g/mol
Topological Polar Surface Area	332 Å²
Heavy Atom Count	70
Formal Charge	0
Complexity	1140
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	10
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1