Anupam Rasayan India Ltd | CAS 81058-27-7 | Related Intermediates | Manufacturers & Suppliers

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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4-(5-Bromo-2- chlorobenzyl)phenyl ethyl ether

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CAS Number

461432-23-5

End Use API

Dapagliflozin

About the Company

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:20...

Anupam Rasayan India Limited was started in 1976 and we are 36 years old. ISO 9001:2008 and ISO 14001:2004 certified chemical company with sound technology, environment consciousness, a rich history of innovation through research, and a total commitment to excellence in quality and customer satisfaction. ARIL is a manufacturer of Specialty Chemicals, with products catering to a plethora of market segments such as Pharmaceuticals, Agrochemicals, Pigments, Dyestuff, Material Sciences and Human Care. Our vision is to exploit to the maximum the potential of our extensive infrastructure and knowledge base, and then go beyond these to explore new horizons. Our objective is to grow exponentially in a multi-faceted manner through our chemistry, our technology and most importantly, through our customer support. ARIL thrives on its strong Research & Development and we have introduced numerous products for the first time in India. Many products have been introduced on an exclusive basis for our customers, for which we have entered into exclusivity agreements.

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