CAS 874638-80-9

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2 End Use APIs
14 Related Intermediates

Chemistry

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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