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Overview of CAS 124655-09-0

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(4R-Cis)-6-Hydroxymethyl-2,2-dimethyl-1,3-dioxane-
PharmaCompass
(4R-Cis)-6-Hydroxymethyl-2,2-dimethyl-1,3-dioxane-
Also known as: 124655-09-0, (4r-cis)-6-hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetic acid 1,1-dimethylethyl ester, Tert-butyl (3r,5s)-6-hydroxy-3,5-o-isopropylidene-3,5-dihydroxyhexanoate, Tert-butyl 2-((4r,6s)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate, Tert-butyl 2-[(4r,6s)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate, (4r-cis)-6-hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetic acid-1,1-dimethyethyl ester
Molecular Formula
C13H24O5
Molecular Weight
260.33  g/mol
InChI Key
CFRUAOXMCVQMFP-ZJUUUORDSA-N

1 2D Structure

(4R-Cis)-6-Hydroxymethyl-2,2-dimethyl-1,3-dioxane-

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl 2-[(4R,6S)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
2.1.2 InChI
InChI=1S/C13H24O5/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h9-10,14H,6-8H2,1-5H3/t9-,10+/m1/s1
2.1.3 InChI Key
CFRUAOXMCVQMFP-ZJUUUORDSA-N
2.1.4 Canonical SMILES
CC1(OC(CC(O1)CO)CC(=O)OC(C)(C)C)C
2.1.5 Isomeric SMILES
CC1(O[C@H](C[C@H](O1)CO)CC(=O)OC(C)(C)C)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 124655-09-0

2. (4r-cis)-6-hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-dimethylethyl Ester

3. Tert-butyl (3r,5s)-6-hydroxy-3,5-o-isopropylidene-3,5-dihydroxyhexanoate

4. Tert-butyl 2-((4r,6s)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate

5. Tert-butyl 2-[(4r,6s)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate

6. (4r-cis)-6-hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid-1,1-dimethyethyl Ester

7. Ak-25336

8. Tert-butyl[(4r,6r)-6-hydroxymethyl-1,3-dioxan-4-yl]acetate

9. Pubchem6169

10. Ksc174g7j

11. Schembl247199

12. Ctk0h4374

13. Dtxsid50431244

14. Molport-003-847-912

15. C13h24o5

16. Ks-000000zu

17. An-766

18. Anw-49705

19. Mfcd08063915

20. Zinc22001527

21. Akos015841510

22. Akos015904380

23. Ac-1298

24. Cs-w019118

25. Rp29279

26. Aj-80149

27. As-15032

28. Bc220389

29. Br-25336

30. Cj-17196

31. He054783

32. N707

33. Sc-00653

34. Sy031033

35. Ab0015984

36. Ax8002978

37. Kb-174115

38. St2413836

39. Tr-003788

40. B4214

41. Ft-0602593

42. St51054990

43. M-1501

44. 655h090

45. I14-3722

46. Q-102784

47. I14-16973

48. (4r-cis)-6-hydroxymethyl-2,2-dimethyl-1,3-dioxane-

49. T-butyl-(3r,5s)-6-hydroxy 3,5-o-isopropylidene 3,5-dihydroxyhexanoate

50. T-butyl-(3r,5s)-6-hydroxy3,5-o-isopropylidene3,5-dihydroxyhexanoate

51. Tert-butyl (3r,5s)-6-hydroxy-3,5-o-iso-propylidene-3,5-dihydroxyhexanoate

52. Tert-butyl (4r,6s)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxane-4-acetate

53. Tert-butyl 2,4-dideoxy-3,5-o-(1-methylethylidene)-d-erythro-hexonate

54. ((4r,6s)-6-hydroxymethyl-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic Acid T-butyl Ester

55. (3r,5s)-3,5-[isopropylidenebis(oxy)]-6-hydroxyhexanoic Acid Tert-butyl Ester

56. (4r Cis)-1,1-dimethylethyl 6-hydroxymethyl-2,2-dimethyl -1,3-dioxane-4-acetate

57. (4r,6s)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid Tert-butyl Ester

58. (4r,6s)-6-hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-dimethylethyl Ester

59. (4r-cis)-1,1-dimethylethyl 6-hydroxymethyl-2,2 Dimethyl-1,3- Dioxane-4-acetate

60. (4r-cis)-1,1-dimethylethyl 6-hydroxymethyl-2,2-dimethyl-1,3- Dioxane-4-acetate

61. (4r-cis)-1,1-dimethylethyl 6-hydroxymethyl-2,2-dimethyl-1,3-dioxane-4-acetate

62. (4r-cis)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid, 1,1dimethylethyl Ester

63. 2-[(4r,6s)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic Tert-butyl Ester

64. Tert-butyl [(4r,6s)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxane-4-yl]acetate

65. Tert-butyl-2-[(4r,6s)-6-hydroxymethyl-2,2-dimethyl-[1,3]dioxan-4-yl]acetate

66. (4r-cis)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid, 1,1-dimethylethyl Ester

67. 2-[(4r,6s)-6-(hydroxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic Acid Tert-butyl Ester

68. 611205-80-2

2.3 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 260.33 g/mol
Molecular Formula C13H24O5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass260.162 g/mol
Monoisotopic Mass260.162 g/mol
Topological Polar Surface Area65 A^2
Heavy Atom Count18
Formal Charge0
Complexity292
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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