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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

Plurol Oleique
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 Weight 1023.2 g/mol
Molecular Formula C48H94O22
XLogP3-0.6
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count22
Rotatable Bond Count55
Exact Mass1022.62367462 g/mol
Monoisotopic Mass1022.62367462 g/mol
Topological Polar Surface Area332 Ų
Heavy Atom Count70
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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19-Apr-2024
06-Sep-2024
KGS
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