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Also known as: 161599-46-8, 5'-deoxy-2',3'-di-o-acetyl-5-fluorocytidine, Cytidine, 5'-deoxy-5-fluoro-, 2',3'-diacetate, Q6ktk8kqr2, [(2r,3r,4r,5r)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate, 2,3-di-o-acetyl-5-deoxy-5-fuluro-d-cytidine
Molecular Formula
C13H16FN3O6
Molecular Weight
329.28  g/mol
InChI Key
NWJBWNIUGNXJGO-RPULLILYSA-N
FDA UNII
Q6KTK8KQR2

CAS 161599-46-8
1 2D Structure

CAS 161599-46-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
2.1.2 InChI
InChI=1S/C13H16FN3O6/c1-5-9(22-6(2)18)10(23-7(3)19)12(21-5)17-4-8(14)11(15)16-13(17)20/h4-5,9-10,12H,1-3H3,(H2,15,16,20)/t5-,9-,10-,12-/m1/s1
2.1.3 InChI Key
NWJBWNIUGNXJGO-RPULLILYSA-N
2.1.4 Canonical SMILES
CC1C(C(C(O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C
2.1.5 Isomeric SMILES
C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=NC2=O)N)F)OC(=O)C)OC(=O)C
2.2 Other Identifiers
2.2.1 UNII
Q6KTK8KQR2
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 161599-46-8

2. 5'-deoxy-2',3'-di-o-acetyl-5-fluorocytidine

3. Cytidine, 5'-deoxy-5-fluoro-, 2',3'-diacetate

4. Q6ktk8kqr2

5. [(2r,3r,4r,5r)-4-acetyloxy-5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-2-methyloxolan-3-yl] Acetate

6. 2,3-di-o-acetyl-5-deoxy-5-fuluro-d-cytidine

7. 2', 3'-di-o-acetyl-5'-deoxy-5-fluoro-d-cytidine

8. 2',3'-di-o-acetyl-5'-deoxy-5-fluoro-d-cytidine

9. 1-(2,3-di-o-acetyl-5-deoxy-beta-d-ribofuranosyl)-4-amino-5-fluoropyrimidin-2(1h)-one

10. Unii-q6ktk8kqr2

11. Mfcd07369302

12. C13h16fn3o6

13. 2'',3''-di-o-acetyl-5''-deoxy-5-fuluro-d-cytidine

14. Ec 605-260-4

15. Schembl935809

16. Dtxsid40167207

17. Act05300

18. Zinc19616026

19. Akos015966242

20. Gs-3732

21. 2,3-di-o-acetyl-5-deoxy-5-fluorocytidine

22. 2,3-di-o-acetyl-5-deoxy-5-fulurocytidine

23. 5-deoxy-2,3-di-o-acetyl-5-fluorocytidine

24. Cs-0158243

25. 2',3'-di-o-acetyl-5'-deoxy-5-fluoro-cytidine

26. 599d468

27. A810277

28. W-60381

29. Q63398171

30. (2r,3r,4r,5r)-2-(4-amino-5-fluoro-2-oxopyrimidin-1(2h)-yl)-5-methyl-tetrahydrofuran-3,4-diyl Diacetate

31. (2r,3r,4r,5r)-4-(acetyloxy)-5-(4-amino-5-fluoro-2-oxo-1,2-dihydropyrimidin-1-yl)-2-methyloxolan-3-yl Acetate

2.4 Create Date
2006-10-27
3 Chemical and Physical Properties
Molecular Weight 329.28 g/mol
Molecular Formula C13H16FN3O6
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass329.10231340 g/mol
Monoisotopic Mass329.10231340 g/mol
Topological Polar Surface Area121 Ų
Heavy Atom Count23
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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SUPPLIERS

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EPS
Not Confirmed

2',3'-di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine

CAS Number :

End Use API :

About the Company : Established in 2002, Aurisco is an innovative company dedicated to developing and manufacturing pharmaceutical chemicals serving pharmaceutical companies worldwide. The head office is l...

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02

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EPS
Not Confirmed

2',3'-Di-O-acetyl-5'-deoxy-5-fuluro-D-cytidine

CAS Number : 161599-46-8

End Use API :

About the Company : Beijing Lunarsun pharma is a professional manufacturer of API and intermediates. The factory is approved by US FDA. According to EU and US FDA's requirement, we supply following APIs an...

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EPS
Not Confirmed

[(2R,3R,4R,5R)-4-acetyloxy-5-(4-amino-5-fluoro-2-o...

CAS Number : 161599-46-8

End Use API :

About the Company : Fuan Pharmaceutical (Group) Co., Ltd. was established on February 25, 2004. The company is located in Chongqing Changshou Economic and Technological Development Zone, covering an area o...

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04

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EPS
Not Confirmed

2',3'-Di-O-acetyl-5'-deoxy-5-fluoro-D-cytidine

CAS Number : 161599-46-8

End Use API :

About the Company : Nantong Chem-land Co., Ltd. is located in Nantong city, a developed port city which distance from Shanghai is only 1.5 hours by car. Established in 2006, we have developed quickly into ...

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