CAS 1660-95-3

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Also known as: 1660-95-3, Tetraisopropyl methylenebis(phosphonate), Phosphonic acid, methylenebis-, tetrakis(1-methylethyl) ester, Tetraisopropyl methylenebisphosphonate, Methylenediphosphonic acid tetraisopropyl ester, 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane

Molecular Formula

C₁₃H₃₀O₆P₂

Molecular Weight

344.32 g/mol

InChI Key

ODTQUKVFOLFLIQ-UHFFFAOYSA-N

FDA UNII

K46Y5V9U61

1 2D Structure

CAS 1660-95-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane

2.1.2 InChI

InChI=1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3

2.1.3 InChI Key

ODTQUKVFOLFLIQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C

2.2 Other Identifiers

2.2.1 UNII

K46Y5V9U61

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1660-95-3

2. Tetraisopropyl Methylenebis(phosphonate)

3. Phosphonic Acid, Methylenebis-, Tetrakis(1-methylethyl) Ester

4. Tetraisopropyl Methylenebisphosphonate

5. Methylenediphosphonic Acid Tetraisopropyl Ester

6. 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane

7. Phosphonic Acid, Methylenedi-, Tetraisopropyl Ester

8. Dtxsid7044847

9. K46y5v9u61

10. Tetra-i-propylmethylenediphosphonate

11. Phosphonic Acid, P,p'-methylenebis-, P,p,p',p'-tetrakis(1-methylethyl) Ester

12. Mfcd00015021

13. Nsc-226577

14. Bis(propan-2-yl) {[bis(propan-2-yloxy)phosphoryl]methyl}phosphonate

15. Tetrakis(1-methylethyl) Methylenediphosphonate

16. Dtxcid5024847

17. Cas-1660-95-3

18. Unii-k46y5v9u61

19. C13h30o6p2

20. Einecs 216-765-0

21. Medronic Acid Impurity B

22. Schembl114969

23. Chembl3183026

24. Tetraisopropylmethanediphosphonate

25. 2-[diisopropoxyphosphorylmethyl(isopropoxy)phosphoryl]oxypropane

26. Amy32007

27. Bcp22455

28. Zinc1757468

29. Tox21_113797

30. Tox21_301267

31. Nsc226577

32. Phosphonic Acid, Tetraisopropyl Ester

33. Tetraisopropyl Methylene Diphosphonate

34. Tetraisopropyl(methylene)bisphosphonate

35. Tetraisopropylmethylenebis(phosphonate)

36. Akos003600014

37. Cs-w011893

38. Nsc 226577

39. Tetraisopropyl Methane Diphosphonic Acid

40. Methylenebis(phosphonic Acid Diisopropyl)

41. Ncgc00253673-01

42. Ncgc00256259-01

43. As-64438

44. Sy043329

45. Tetraisopropyl Methane-1,1-bisphosphonate

46. Tetraisopropylmethylenediphosphonate

47. Tetraisopropyl Methylenediphosphonate, 97%

48. Db-009827

49. Ft-0653196

50. M1319

51. D70431

52. En300-203931

53. Phosphonic Acid, Tetrakis(1-methylethyl) Ester

54. A810693

55. Sr-01000944763

56. Tetrakis(o-isopropyl) Methylenediphosphonate

57. Sr-01000944763-1

58. W-109690

59. Q27281937

60. F8889-7210

61. Z1954802106

62. Tetraisopropyl Methylenediphosphonate(for Disodium Clodronate)

63. ((diisopropoxyphosphinyl)methyl)diisopropoxyphosphine Oxide

64. Bis(propan-2-yl) {[bis(propan-2-yloxy)-phosphoryl]methyl}phosphonate

65. Medronic Acid Impurity B, European Pharmacopoeia (ep) Reference Standard

66. Tetraisopropyl Methylenebis(phosphonate);2-(p-tolylsulfonylamino)propanoic Acid

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₃H₃₀O₆P₂
Molecular Weight	344.32 g/mol
XLogP3	2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	71.1
Heavy Atom Count	21
Formal Charge	0
Complexity	328
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