(3R,4S,5R,6R)-3,4,5-tri((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetra hydro-2H-pyran-2-one

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Also known as: 32384-65-9, (3r,4s,5r,6r)-3,4,5-tris(trimethylsilyloxy)-6-((trimethylsilyloxy)methyl)tetrahydro-2h-pyran-2-one, (3r,4s,5r,6r)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one, 2,3,4,6-tetrakis-o-trimethylsilyl-d-gluconolactone, 2,3,4,6-tetrakis-o-(trimethylsilyl)-d-glucono-1,5-lactone, (3r,4s,5r,6r)-3,4,5-tris(trimethylsilyloxy)-6-((trimethylsilyloxy)methyl)-tetrahydropyran-2-one

Molecular Formula

C₁₈H₄₂O₆Si₄

Molecular Weight

466.9 g/mol

InChI Key

VNGTZLYNGGLPIZ-WCXIOVBPSA-N

1 2D Structure

2,3,4,6-tetrakis-o-trimethylsilyl-d-gluconolactone

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R,4S,5R,6R)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one

2.1.2 InChI

InChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1

2.1.3 InChI Key

VNGTZLYNGGLPIZ-WCXIOVBPSA-N

2.1.4 Canonical SMILES

C[Si](C)(C)OCC1C(C(C(C(=O)O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C

2.1.5 Isomeric SMILES

C[Si](C)(C)OC[C@@H]1[C@H]([C@@H]([C@H](C(=O)O1)O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 32384-65-9

2. (3r,4s,5r,6r)-3,4,5-tris(trimethylsilyloxy)-6-((trimethylsilyloxy)methyl)tetrahydro-2h-pyran-2-one

3. (3r,4s,5r,6r)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-one

4. 2,3,4,6-tetrakis-o-trimethylsilyl-d-gluconolactone

5. 2,3,4,6-tetrakis-o-(trimethylsilyl)-d-glucono-1,5-lactone

6. (3r,4s,5r,6r)-3,4,5-tris(trimethylsilyloxy)-6-((trimethylsilyloxy)methyl)-tetrahydropyran-2-one

7. 2,3,4,6-tetra-o-(trimethylsilyl)-d-glucono-delta-lactone

8. Mfcd22665922

9. Gluconic Acid Lactone, Tms # 1

10. Ec 608-732-8

11. Schembl18174

12. Amy287

13. Canagliflozin Related Impurity 9

14. 2,3,4,6-tetra-o-(trimethylsilyl)-d-glucono-1,5-lactone

15. Dtxsid30451107

16. (3r,4s,5r,6r)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-one

17. Cs-m2269

18. Akos022174947

19. Zinc169747786

20. Ds-7487

21. (3r,4s,5r,6r)-3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)tetrahydropyran-2-one

22. (3r,4s,5r,6r)-3,4,5-tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-on

23. (3r,4s,5r,6r)-3,4,5-tris-trimethylsilanyloxy-6-trimethylsilanyloxymethyl-tetrahydro-pyran-2-one

24. (3r,4s,5r,6r)-3,4,5-tris[(trimethylsilyl)oxy]-6-{[(trimethylsilyl)oxy]methyl}oxan-2-one (non-preferred Name)

25. Ac-27653

26. A855898

27. 2,3,4,6-tetrakis-o-trimethyl Silyl-d-gluconolactone

28. Not Available;2,3,4,6-tetra-o-(trimethylsilyl)-d-glucono-delta-lactone

29. (3r,4 S,5r,6r)-3,4,5-tris(trimethylsilyloxy)-6-trimethylsilyloxymethyltetrahydropyran-2-one

30. (3r,4s,5r,6r)-3,4,5-tri((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetra Hydro-2h-pyran-2-one

31. (3r,4s,5r,6r)-3,4,5-tri((trimethylsilyl)oxy)-6-(((trimethylsilyl)oxy)methyl)tetrahydro-2h-pyran-2-one

32. (3r,4s,5r,6r)-3,4,5-tris -(trimethylsilyloxy)-6-((trimethylsilyloxy)methyl)-tetrahydropyran-2-one

33. (3r,4s,5r,6r)-3,4,5-tris-(trimethylsilyloxy)-6-((trimethylsilyloxy)methyl)-tetrahydropyran-2-one

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₄₂O₆Si₄
Molecular Weight	466.9 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	466.20584519 g/mol
Monoisotopic Mass	466.20584519 g/mol
Topological Polar Surface Area	63.2 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	530
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1