Glyceryl Monoricinoleate

Synopsis, Chemistry

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Also known as: Glycerol monoricinoleate, Glyceryl ricinoleate, 1323-38-2, Zue0cel42o, 1-glyceryl ricinoleate, 141-08-2

Molecular Formula

C₂₁H₄₀O₅

Molecular Weight

372.5 g/mol

InChI Key

HDIFHQMREAYYJW-XGXNLDPDSA-N

FDA UNII

ZUE0CEL42O

1 2D Structure

Glyceryl Monoricinoleate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dihydroxypropyl (Z,12R)-12-hydroxyoctadec-9-enoate

2.1.2 InChI

InChI=1S/C21H40O5/c1-2-3-4-11-14-19(23)15-12-9-7-5-6-8-10-13-16-21(25)26-18-20(24)17-22/h9,12,19-20,22-24H,2-8,10-11,13-18H2,1H3/b12-9-/t19-,20?/m1/s1

2.1.3 InChI Key

HDIFHQMREAYYJW-XGXNLDPDSA-N

2.1.4 Canonical SMILES

CCCCCCC(CC=CCCCCCCCC(=O)OCC(CO)O)O

2.1.5 Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCC(CO)O)O

2.2 Other Identifiers

2.2.1 UNII

ZUE0CEL42O

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Glycerol Monoricinoleate

2. Glyceryl Ricinoleate

3. 1323-38-2

4. Zue0cel42o

5. 1-glyceryl Ricinoleate

6. 141-08-2

7. Unii-zue0cel42o

8. 9-octadecenoic Acid, 12-hydroxy-, (r-(z))-, Monoester With 1,2,3-propanetriol

9. Einecs 215-353-8

10. Ai3-00967

11. Dsstox_cid_22007

12. Dsstox_rid_79901

13. Dsstox_gsid_42007

14. Schembl15687

15. (r)-12-hydroxyoleic Acid, Monoester With Glycerol

16. 9-octadecenoic Acid, 12-hydroxy-, 2,3-dihydroxypropyl Ester, (9z,12r)-

17. Chembl3186157

18. 2,3-dihydroxypropyl (z,12r)-12-hydroxyoctadec-9-enoate

19. Dtxsid90274071

20. Glyceryl 1-monoricinoleate

21. Glyceryl Ricinoleate [ii]

22. Chebi:189184

23. Glyceryl Ricinoleate [inci]

24. Tox21_301962

25. Glyceryl Ricinoleate [who-dd]

26. 9-octadecenoic Acid, 12-hydroxy-, (9z,12r)-, Monoester With 1,2,3-propanetriol

27. 9-octadecenoic Acid, 12-hydroxy-, Monoester With 1,2,3-propanetriol, (r-(z))-

28. Ncgc00255748-01

29. Cas-1323-38-2

30. Q27295893

31. 9-octadecenoic Acid, 12-hydroxy-, (theta-(z))-, Monoester With 1,2,3-propanetriol

2.4 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₄₀O₅
Molecular Weight	372.5 g/mol
XLogP3	4.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	19
Exact Mass	372.28757437 g/mol
Monoisotopic Mass	372.28757437 g/mol
Topological Polar Surface Area	87 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	343
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1