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2D Structure
Also known as: 1660-94-2, Tetraethyl methylenebisphosphonate, Einecs 216-764-5, Brn 1813241, Phosphonic acid, p,p'-methylenebis-, p,p,p',p'-tetraethyl ester, Methylenediphosphonic acid, tetraethyl ester
Molecular Formula
C9H22O6P2
Molecular Weight
288.21  g/mol
InChI Key
STJWVOQLJPNAQL-UHFFFAOYSA-N
FDA UNII
WT3D5Q9EPC

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
2.1.2 InChI
InChI=1S/C9H22O6P2/c1-5-12-16(10,13-6-2)9-17(11,14-7-3)15-8-4/h5-9H2,1-4H3
2.1.3 InChI Key
STJWVOQLJPNAQL-UHFFFAOYSA-N
2.2 Other Identifiers
2.2.1 UNII
WT3D5Q9EPC
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1660-94-2

2. Tetraethyl Methylenebisphosphonate

3. Einecs 216-764-5

4. Brn 1813241

5. Phosphonic Acid, P,p'-methylenebis-, P,p,p',p'-tetraethyl Ester

6. Methylenediphosphonic Acid, Tetraethyl Ester

7. 4-01-00-03071 (beilstein Handbook Reference)

8. Phosphonic Acid, Methylenedi, Tetraethyl Ester

9. Phosphonic Acid, Methylenebis, Tetraethyl Ester

10. Phosphonic Acid, P,p'methylenebis, P,p,p',p'tetraethyl Ester

11. 216-764-5

12. Stjwvoqljpnaql-uhfffaoysa-n

13. Tetraethyl Methylenebis(phosphonate)

14. Tetraethyl Methanediphosphonate

15. Methylenebis(diethylphosphonate)

16. 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane

17. Phosphonic Acid, Methylenebis-, Tetraethyl Ester

18. Tetraethyl Diphosphonomethane

19. Methylenebis(diethoxyphosphine Oxide)

20. Methylenebisphosphonic Acid, Tetraethyl Ester

21. Methylenedi(phosphonic Acid) Tetraethyl Ester

22. Phosphonic Acid, Methylenedi-, Tetraethyl Ester

23. Nsc 133889

24. Tetraethyl Methylidenebisphosphonate

25. Mfcd00039887

26. Wt3d5q9epc

27. Tetraethyl Methanediylbis(phosphonate)

28. Bis(diethoxyphosphinyl)methane

29. Nsc-133889

30. Diethyl [(diethoxyphosphoryl)methyl]phosphonate

31. Tetraethyl (methylene)bisphosphonate

32. Methylenediphosphonic Acid Tetraethyl Ester

33. Unii-wt3d5q9epc

34. Bis-(diethylphosphono)methane

35. Bis(diethoxyphosphoryl)methane

36. Schembl282472

37. Tetraethyl Methylene-diphosphonate

38. Dtxsid60937146

39. Tetraethylmethylenebis(phosphonate)

40. Str02519

41. (eto)2p(o)ch2p(o)(oet)2

42. Bbl100008

43. Nsc133889

44. Stl510915

45. Akos003600075

46. Wln: 2opo&o2&1po&o2&o2

47. Cs-w017776

48. Tetraethyl Methylenediphosphonate, 97%

49. Methanediphosphonic Acid Tetraethyl Ester

50. Sy019507

51. Db-043642

52. Methylene Diphosphonic Acid Tetraethyl Ester

53. Ns00046873

54. Methylene Bisphosphonic Acid, Tetraethyl Ester

55. En300-207836

56. Methanediyl-bis-phosphonic Acid Tetraethyl Ester

57. 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethan

58. (diethoxy-phosphorylmethyl)-phosphonic Acid Diethyl Ester

59. (diethoxy-phosphorylmethyl)phosphonic Acid Diethyl Ester

60. Tetraethyl Methylenediphosphonate, Purum, >=97.0% (gc)

2.4 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 288.21 g/mol
Molecular Formula C9H22O6P2
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area71.1
Heavy Atom Count17
Formal Charge0
Complexity245
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1