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CAS 186204-35-3
PharmaCompass
CAS 186204-35-3
Also known as: 186204-35-3, (r,r)-1,2-bis(methanesulphonyloxymethyl)cyclohexane, Ak-67666, A1-00283, Nsc76458, (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane
Molecular Formula
C10H20O6S2
Molecular Weight
300.384  g/mol
InChI Key
JIHKCHWEXXZTOU-UWVGGRQHSA-N

1 2D Structure

CAS 186204-35-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1R,2R)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl methanesulfonate
2.1.2 InChI
InChI=1S/C10H20O6S2/c1-17(11,12)15-7-9-5-3-4-6-10(9)8-16-18(2,13)14/h9-10H,3-8H2,1-2H3/t9-,10-/m0/s1
2.1.3 InChI Key
JIHKCHWEXXZTOU-UWVGGRQHSA-N
2.1.4 Canonical SMILES
CS(=O)(=O)OCC1CCCCC1COS(=O)(=O)C
2.1.5 Isomeric SMILES
CS(=O)(=O)OC[C@@H]1CCCC[C@H]1COS(=O)(=O)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 186204-35-3

2. (r,r)-1,2-bis(methanesulphonyloxymethyl)cyclohexane

3. Ak-67666

4. A1-00283

5. Nsc76458

6. (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexane

7. Ac1l5o7w

8. (1r,2r)-1,2-cyclohexanedimethanol 1,2-dimethanesulfonate

9. Schembl924034

10. Ctk7b4558

11. Dtxsid70291564

12. Jihkchwexxztou-uwvggrqhsa-n

13. Molport-023-279-188

14. C10h20o6s2

15. Ks-00000oc3

16. Zinc1709848

17. Anw-44345

18. Mfcd12923309

19. Nsc-76458

20. Akos015999600

21. Fch3996880

22. Rl02365

23. Ac-24376

24. Ds-16691

25. Kb-03480

26. Ax8208380

27. Tc-133090

28. Cs-0031399

29. St24026474

30. Z4333

31. M-8136

32. Trans-1,2-bis(methanesulfonyloxymethyl)cyclohexane

33. J-502303

34. (1r,2r)-1,2-bis(methanesulfonyloxymethyl)cyclohexan

35. (1r-trans)-1,2-cyclohexanedimethanol Dimethanesulfonate

36. (1r,2r)-1,2-bis[[(methylsulfonyl)oxy]methyl]cyclohexane

37. (1r,2r)-cyclohexane-1,2-diyldimethanediyl Dimethanesulfonate

38. 1,2-cyclohexanedimethanol, 1,2-dimethanesulfonate, (1r,2r)-

39. [(1r,2r)-cyclohexane-1,2-diyl]bis(methylene) Dimethanesulfonate

40. [(1r,2r)-2-(methylsulfonyloxymethyl)cyclohexyl]methyl Methanesulfonate

41. [(1r,2r)-2-[(methanesulfonyloxy)methyl]cyclohexyl]methyl Methanesulfonate

42. Bis(methanesulfonic Acid)[(1r,2r)-1,2-cyclohexanediyl]bismethylene Ester

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 300.384 g/mol
Molecular Formula C10H20O6S2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass300.07 g/mol
Monoisotopic Mass300.07 g/mol
Topological Polar Surface Area104 A^2
Heavy Atom Count18
Formal Charge0
Complexity398
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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