Saurav Chemicals

CAS 81058-27-7

Chemistry, 1 End Use API, 67 Related Intermediates

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Also known as: 81058-27-7, (2r,3r,4s,5r,6r)-2-bromo-6-((pivaloyloxy)methyl)tetrahydro-2h-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate), Tetra-o-pivaloyl-alpha-d-glucopyranosyl bromide, [(2r,3r,4s,5r,6r)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate, (2r,3r,4s,5r,6r)-2-bromo-6-(pivaloyloxymethyl)tetrahydro-2h-pyran-3,4,5-triyl tris(2,2-dimethylpropanoate), Mfcd08275217

Molecular Formula

C₂₆H₄₃BrO₉

Molecular Weight

579.5 g/mol

InChI Key

BSDBCYHGMPHOAL-SFFUCWETSA-N

1 2D Structure

CAS 81058-27-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3R,4S,5R,6R)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

2.1.2 InChI

InChI=1S/C26H43BrO9/c1-23(2,3)19(28)32-13-14-15(34-20(29)24(4,5)6)16(35-21(30)25(7,8)9)17(18(27)33-14)36-22(31)26(10,11)12/h14-18H,13H2,1-12H3/t14-,15-,16+,17-,18+/m1/s1

2.1.3 InChI Key

BSDBCYHGMPHOAL-SFFUCWETSA-N

2.1.4 Canonical SMILES

CC(C)(C)C(=O)OCC1C(C(C(C(O1)Br)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C

2.1.5 Isomeric SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 81058-27-7

2. (2r,3r,4s,5r,6r)-2-bromo-6-((pivaloyloxy)methyl)tetrahydro-2h-pyran-3,4,5-triyl Tris(2,2-dimethylpropanoate)

3. Tetra-o-pivaloyl-alpha-d-glucopyranosyl Bromide

4. [(2r,3r,4s,5r,6r)-6-bromo-3,4,5-tris(2,2-dimethylpropanoyloxy)oxan-2-yl]methyl 2,2-dimethylpropanoate

5. (2r,3r,4s,5r,6r)-2-bromo-6-(pivaloyloxymethyl)tetrahydro-2h-pyran-3,4,5-triyl Tris(2,2-dimethylpropanoate)

6. Mfcd08275217

7. Ec 686-241-8

8. 2,3,4,6-tetrakis-o-(2,2-dimethylpropanoyl)-alpha-d-glucopyranosyl Bromide

9. Schembl1039837

10. Dtxsid801020960

11. Amy39015

12. Akos024462364

13. Zinc100057578

14. Ac-26309

15. Bs-29473

16. Cs-0165066

17. F12912

18. 027t522

19. A864609

20. 2,3,4,6-tetra-o-pivaloylalpha-d-glucopyranosyl Bromide

21. 2,3,4,6-tetra-o-pivaloyl-alpha-d-gluco-pyranosyl Bromide

22. 1-bromo-1-deoxy-alpha-d-glucopyranose 2,3,4,6-tetrapivalate

23. 2,3,4,6-tetra-o-pivaloyl-alpha-d-glucopyranosyl Bromide, >=90% (tlc)

24. Alpha-d-glucopyranosyl Bromide, 2,3,4,6-tetrakis(2,2-dimethylpropanoate)

25. Tetra-o-pivaloyl-

26. A Inverted Exclamation Mark-d-glucopyranosyl Bromide

27. 2,3,4,6-tetra-o-pivaloyl-a-d-glucopyranosyl Bromide - Stabilised With Caco3

28. (2r,3r,4s,5r,6r)-2-bromo-6-((pivaloyloxy)methyl)tetrahydro-2h-pyran-3,4,5-triyl Tris(2,2-dimethylpropanoate) (empagliflozin Impurity Pound(c)

29. (2r,3r,4s,5r,6r)-2-bromo-6-((pivaloyloxy)methyl)tetrahydro-2h-pyran-3,4,5-triyltris(2,2-dimethylpropanoate)

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₄₃BrO₉
Molecular Weight	579.5 g/mol
XLogP3	7.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	13
Exact Mass	578.20905 g/mol
Monoisotopic Mass	578.20905 g/mol
Topological Polar Surface Area	114 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	824
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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CAS Number

1996-30-1

End Use API

Dapagliflozin

About the Company

Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermed...

Established in the early 90’s SCL offers a wide range of Active Pharmaceutical Ingredients and Intermediates to its customers worldwide. SCL’s products are exported to Europe, Japan, Russia, South and Central America, ASEAN, W. Asia, MENA regions. SCL’s manufacturing facilities have been built to comply with EU GMP and U.S. FDA norms, and the API facility has been successfully certified as EU GMP compliant five times by the European Authorities. Latest certification was carried out by German Health Authority.

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