Flexricin 15

Synopsis, Chemistry

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Also known as: Glycol ricinoleate, 106-17-2, Ethylene glycol monoricinoleate, Glycol monoester ricinoleate, Avlinox, Ricinoleic acid, 2-hydroxyethyl ester

Molecular Formula

C₂₀H₃₈O₄

Molecular Weight

342.5 g/mol

InChI Key

XLMXUUQMSMKFMH-UZRURVBFSA-N

1 2D Structure

Flexricin@ 15

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-hydroxyethyl (Z,12R)-12-hydroxyoctadec-9-enoate

2.1.2 InChI

InChI=1S/C20H38O4/c1-2-3-4-11-14-19(22)15-12-9-7-5-6-8-10-13-16-20(23)24-18-17-21/h9,12,19,21-22H,2-8,10-11,13-18H2,1H3/b12-9-/t19-/m1/s1

2.1.3 InChI Key

XLMXUUQMSMKFMH-UZRURVBFSA-N

2.1.4 Canonical SMILES

CCCCCCC(CC=CCCCCCCCC(=O)OCCO)O

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Glycol Ricinoleate

2. 106-17-2

3. Ethylene Glycol Monoricinoleate

4. Glycol Monoester Ricinoleate

5. Avlinox

6. Ricinoleic Acid, 2-hydroxyethyl Ester

7. S152

8. Prodhyphore A

9. Prodhyphore E

10. Prodhyphore O

11. Cremophor-el

12. Cremophor-e1

13. Polyoxyethylene Ricinoleate

14. 9004-97-1

15. Polyethylene (600) Monoricinoleate

16. Ricinoleic Acid, Monoester With Polyethylene Glycol

17. 9-octadecenoic Acid,12-hydroxy-, 2-hydroxyethyl Ester, (9z,12r)-

18. S 556u

19. 2-hydroxyethyl Ricinoleate

20. Polyoxyethylene (600) Monoricinoleate

21. Flexricin@ 15

22. Polyethylene Glycol-ricinoleic Acid Monoester

23. S 534

24. Polyethylene Glycol, Ester With Ricinoleic Acid

25. Polyethylene Glycol 400 Monoester Of Ricinoleic Acid

26. 9-octadecenoic Acid, 2-hydroxyethyl Ester, (r-(z))-

27. 9-octadecenoic Acid, 2-hydroxyethyl Ester, [r-(z)]-

28. 9-octadecenoic Acid, 12-hydroxy-, 2-hydroxyethyl Ester, (r-(z))-

29. Flexricin 15

30. Nsc 7394

31. Einecs 203-369-8

32. 2-hydroxyethyl (z,12r)-12-hydroxyoctadec-9-enoate

33. Glycol Monoricinoleate

34. Glycols, Monoricinoleate

35. Schembl142809

36. Dtxsid80873890

37. Nsc7394

38. Nsc-7394

39. Zinc5067040

40. Nsc124677

41. Nsc-124677

42. Poly(oxy-1,2-ethanediyl), .alpha.-[(9z,12r)-12-hydroxy-1-oxo-9-octadecenyl]-.omega.-hydroxy-

43. 2-hydroxyethyl 12-hydroxy-9-octadecenoate

44. Ethylene Glycol Monoricinoleate, Aldrichcpr

45. 9-octadecenoic Acid, 12-hydroxy-, 2-hydroxyethyl Ester

46. 9-octadecenoic Acid, 12-hydroxy-, 2-hydroxyethyl Ester, (theta-(z))-

47. Poly(oxy-1, .alpha.-(12-hydroxy-1-oxo-9-octadecenyl)-.omega.-hydroxy-, [r-(z)]-

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₃₈O₄
Molecular Weight	342.5 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	18
Exact Mass	342.27700969 g/mol
Monoisotopic Mass	342.27700969 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	302
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1