CAS 597-71-7

Chemistry

Chemistry

Also known as: 597-71-7, Normosterol, Normo-level, Pentaerythrityl tetraacetate, Tape, Tetraacetyl pentestriol

Molecular Formula

C₁₃H₂₀O₈

Molecular Weight

304.29 g/mol

InChI Key

OUHCZCFQVONTOC-UHFFFAOYSA-N

FDA UNII

C4YXI01Z81

1 2D Structure

CAS 597-71-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] acetate

2.1.2 InChI

InChI=1S/C13H20O8/c1-9(14)18-5-13(6-19-10(2)15,7-20-11(3)16)8-21-12(4)17/h5-8H2,1-4H3

2.1.3 InChI Key

OUHCZCFQVONTOC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)OCC(COC(=O)C)(COC(=O)C)COC(=O)C

2.2 Other Identifiers

2.2.1 UNII

C4YXI01Z81

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 597-71-7

2. Normosterol

3. Normo-level

4. Pentaerythrityl Tetraacetate

5. Tape

6. Tetraacetyl Pentestriol

7. Tetraacetil Pentoetriol

8. Nsc 1841

9. [3-acetyloxy-2,2-bis(acetyloxymethyl)propyl] Acetate

10. Pentaerythrityl Tetracetate

11. 2,2-bis((acetyloxy)methyl)-1,3-propanediol Diacetate

12. C4yxi01z81

13. 2,2-bis(acetoxymethyl)propane-1,3-diyl Diacetate

14. Nsc-1841

15. T. A. P. E.

16. Pag [romanian]

17. 1,3-propanediol, 2,2-bis[(acetyloxy)methyl]-, Diacetate

18. 3-(acetyloxy)-2,2-bis[(acetyloxy)methyl]propyl Acetate

19. 1,3-propanediol, 2,2-bis((acetyloxy)methyl)-, Diacetate

20. Pentaerythritol, Tetraacetate

21. Tetraacetil Pentoetriol [romanian]

22. C13h20o8

23. Einecs 209-907-8

24. Brn 1804615

25. Unii-c4yxi01z81

26. 1,3-propanediol, 2,2-bis((acetyloxy)methyl)-, 1,3-diacetate

27. 1,3-propanediol, 2,2-bis[(acetyloxy)methyl]-, 1,3-diacetate

28. T.a.p.e.

29. [3-acetoxy-2,2-bis(acetoxymethyl)propyl] Acetate

30. Mfcd00026206

31. Pentaerythrit-tetraacetat

32. Pentaerythritol Tetracetate

33. Cbdive_003151

34. 4-02-00-00264 (beilstein Handbook Reference)

35. Schembl309351

36. Ouhczcfqvontoc-uhfffaoysa-

37. Dtxsid10871783

38. Nsc1841

39. Zinc1577044

40. Akos004906770

41. Pentaerythritol Tetraacetate [mi]

42. As-81683

43. Pentaerythrityl Tetraacetate [inci]

44. 1, 2,2-bis[(acetyloxy)methyl]-, Diacetate

45. Cs-0326896

46. P0757

47. D92009

48. 2,2-bis(acetoxymethyl)propane-1,3-diyldiacetate

49. Q27275193

50. 3-(acetyloxy)-2,2-bis[(acetyloxy)methyl]propyl Acetate #

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₂₀O₈
Molecular Weight	304.29 g/mol
XLogP3	-0.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	12
Exact Mass	304.11581759 g/mol
Monoisotopic Mass	304.11581759 g/mol
Topological Polar Surface Area	105 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	324
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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