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Also known as: 20880-92-6, Diacetonefructose, Topiramate related compound a, Nsc 407023, 2,3:4,5-bis-o-(1-methylethylidene)-beta-d-fructopyranose, Sq9f5005s8
Molecular Formula
C12H20O6
Molecular Weight
260.28  g/mol
InChI Key
PSSHGMIAIUYOJF-XBWDGYHZSA-N
FDA UNII
SQ9F5005S8

CAS 20880-92-6
1 2D Structure

CAS 20880-92-6

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol
2.1.2 InChI
InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9+,12+/m1/s1
2.1.3 InChI Key
PSSHGMIAIUYOJF-XBWDGYHZSA-N
2.1.4 Canonical SMILES
CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C
2.1.5 Isomeric SMILES
CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)CO)C
2.2 Other Identifiers
2.2.1 UNII
SQ9F5005S8
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 20880-92-6

2. Diacetonefructose

3. Topiramate Related Compound A

4. Nsc 407023

5. 2,3:4,5-bis-o-(1-methylethylidene)-beta-d-fructopyranose

6. Sq9f5005s8

7. Nsc-407023

8. Diacetone-beta-d-fructose

9. [(1r,2r,6s,9r)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol

10. [(1r,2s,6s,9r)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol

11. 2,3,4,5-di-o-isopropylidene-beta-d-fructopyranose

12. Beta-d-fructopyranose, 2,3:4,5-bis-o-(1-methylethylidene)-

13. Mfcd00022183

14. D-fructopyranose Diacetonide

15. ((3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl)methanol

16. ((3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methanol

17. Topiramate Impurity A

18. 2,3:4,5-di-o-isopropylidene-?-d-fructopyranose

19. 2,3:4,5-di-o-isopropylidene-b-d-fructopyranose

20. Schembl607816

21. Unii-sq9f5005s8

22. .beta.-d-fructopyranose, 2,3:4,5-bis-o-(1-methylethylidene)-

23. Zinc5727805

24. Topiramate Related Compound A [usp]

25. Akos015901555

26. Bcp9000603

27. Cs-w012508

28. Ds-3293

29. Topiramate Related Compound A Rs [usp]

30. Bcp0726000040

31. Topiramate Related Compound A [usp-rs]

32. 880d926

33. Topiramate Related Compound A [usp Impurity]

34. 2,3:4,5-di-o-isopropylidene- Beta -d-fructopyranose

35. Q27289341

36. 2,3:4,5-di-o-isopropylidene-beta-d-fructopyranos, (-)-

37. 2,3:4,5-di-o-isopropylidene-.beta.-d-fructopyranose

38. 2,3:4,5-di-o-isopropylidene-.beta.-d-fructopyranos, (-)-

39. 2-o,3-o:4-o,5-o-bis(1-methylethylidene)-beta-d-fructopyranose

40. 2,3:4,5-bis-o-(1-methylethylidene)-.beta.-d-fructopyranose

41. Topiramate Related Compound A, United States Pharmacopeia (usp) Reference Standard

42. [(3as,5ar,8ar,8bs)-2,2,7,7-tetramethyl-5,5a,8a,8b-tetrahydrodi[1,3]dioxolo[4,5-a:3',5'-c]pyran-3a-yl]methanol

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 260.28 g/mol
Molecular Formula C12H20O6
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass260.12598835 g/mol
Monoisotopic Mass260.12598835 g/mol
Topological Polar Surface Area66.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity355
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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