Polyglyceryl-4 Oleate

Synopsis, Chemistry

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Also known as: Oleic acid, monoester with triglycerol, 33940-98-6, [3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropyl] (z)-octadec-9-enoate, 9-octadecenoic acid (z)-, monoester with triglycerol, Caprol 3go, Sunsoft a-17c

Molecular Formula

C₂₇H₅₂O₈

Molecular Weight

504.7 g/mol

InChI Key

SJLAFUFWXUJDDR-KTKRTIGZSA-N

FDA UNII

XRQ165498B

1 2D Structure

Polyglyceryl-4 Oleate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

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

2.1.2 InChI

InChI=1S/C27H52O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(32)35-23-26(31)22-34-21-25(30)20-33-19-24(29)18-28/h9-10,24-26,28-31H,2-8,11-23H2,1H3/b10-9-

2.1.3 InChI Key

SJLAFUFWXUJDDR-KTKRTIGZSA-N

2.1.4 Canonical SMILES

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

2.1.5 Isomeric SMILES

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

2.2 Other Identifiers

2.2.1 UNII

XRQ165498B

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Oleic Acid, Monoester With Triglycerol

2. 33940-98-6

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

4. 9-octadecenoic Acid (z)-, Monoester With Triglycerol

5. Caprol 3go

6. Sunsoft A-17c

7. Isolan Go 33

8. Sunsoft A-171c

9. Triglycerin Monooleate

10. Schembl18067435

11. Aec Polyglyceryl-3 Oleate

12. Xrq165498b

13. Polyglyceryl-3 Oleate [ii]

14. Polyglyceryl-3 Oleate [inci]

15. Oleic Acid, Monoester With Triglycerol, Aldrichcpr

16. Oleic Acid 2,6,10,11-tetrahydroxy-4,8-dioxaundecane-1-yl Ester

2.4 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₇H₅₂O₈
Molecular Weight	504.7 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	27
Exact Mass	504.36621861 g/mol
Monoisotopic Mass	504.36621861 g/mol
Topological Polar Surface Area	126 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	486
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1