CAS 874638-80-9

Chemistry, 2 End Use API, 17 Related Intermediates

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Also known as: 874638-80-9, [(2r,3r,4r)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate, 3,5-di-o-benzoyl-2-deoxy-2-fluoro-2-c-methyl-d-ribono-gamma-lactone, (2r)-2-deoxy-2-fluoro-2-methyl-d-erythropentonic acid gamma-lactone 3,5-dibenzoate, (2r,3r,4r)-2-[(benzoyloxy)methyl]-4-fluoro-4-methyl-5-oxooxolan-3-yl benzoate, Mfcd17677380

Molecular Formula

C₂₀H₁₇FO₆

Molecular Weight

372.3 g/mol

InChI Key

OUKYMZJNLWKCSO-JXXFODFXSA-N

1 2D Structure

CAS 874638-80-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate

2.1.2 InChI

InChI=1S/C20H17FO6/c1-20(21)16(27-18(23)14-10-6-3-7-11-14)15(26-19(20)24)12-25-17(22)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-,16-,20-/m1/s1

2.1.3 InChI Key

OUKYMZJNLWKCSO-JXXFODFXSA-N

2.1.4 Canonical SMILES

CC1(C(C(OC1=O)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)F

2.1.5 Isomeric SMILES

C[C@]1([C@@H]([C@H](OC1=O)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 874638-80-9

2. [(2r,3r,4r)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl Benzoate

3. 3,5-di-o-benzoyl-2-deoxy-2-fluoro-2-c-methyl-d-ribono-gamma-lactone

4. (2r)-2-deoxy-2-fluoro-2-methyl-d-erythropentonic Acid Gamma-lactone 3,5-dibenzoate

5. (2r,3r,4r)-2-[(benzoyloxy)methyl]-4-fluoro-4-methyl-5-oxooxolan-3-yl Benzoate

6. Mfcd17677380

7. (2r,3r,4r-3-benzoyloxy-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methyl Benzoate

8. Schembl475953

9. Ambz0390

10. ((2r,3r,4r)-3-(benzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydrofuran-2-yl)methylbenzoate

11. Dtxsid301135489

12. Cs-m2473

13. Fd9068

14. Zinc71974003

15. Akos022186415

16. Am85938

17. As-19647

18. ((2r,3r,4r)-3-benzoyloxy-4-fluoro-4-methyl-5-oxo-tetrahydrofuran-2-yl)methyl Benzoate

19. (2r)-2-deoxy-2-fluoro-2-methyl-d-erythro-pentonic Acid Gamma-lactone 3,5-dibenzoate

20. [(2r,3r,4r)-3-(benzoyloxy)-4-fluoro-4-methyl-5-oxotetrahydro-2-furanyl]methyl Benzoate

21. 2-fluoro-2-c-methyl-3-o,5-o-dibenzoyl-2-deoxy-d-ribonic Acid Gamma-lactone

22. D-erythro-pentonic Acid, 2-deoxy-2-fluoro-2-methyl-,-lactone, 3,5-dibenzoate, (2r)-

2.3 Create Date

2009-06-29

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₁₇FO₆
Molecular Weight	372.3 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	372.10091642 g/mol
Monoisotopic Mass	372.10091642 g/mol
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	567
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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

CAS-874638-80-9

End Use API

Sofosbuvir

About the Company

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological develop...

Beijing Mesochem Technology Co. Ltd., which is located in the national economic and technological development area of Yizhuang, China, manufactures pharmaceutical chemicals, fine chemicals and fundamental chemical materials. It has an efficient research and development team. Beijing Mesochem provides its customers customized development, craft optimization, contract customization and outsourcing services. The company has a well-established industrial base in Weinan, Shanxi Province. The production base features a 20,000 ㎡ plant with a production capacity of over 8,000 MT per year.

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