CAS 10212-20-1

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BUILDING BLOCK

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Also known as: 10212-20-1, 2'-fluoro-2'-deoxycytidine, Cytidine, 2'-deoxy-2'-fluoro-, 4-amino-1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one, 2-deoxy-2-fluorocytidine, Lcy080jpy9

Molecular Formula

C₉H₁₂FN₃O₄

Molecular Weight

245.21 g/mol

InChI Key

NVZFZMCNALTPBY-XVFCMESISA-N

FDA UNII

LCY080JPY9

1 2D Structure

CAS 10212-20-1

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

2.1.2 InChI

InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1

2.1.3 InChI Key

NVZFZMCNALTPBY-XVFCMESISA-N

2.1.4 Canonical SMILES

C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F

2.1.5 Isomeric SMILES

C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)F

2.2 Other Identifiers

2.2.1 UNII

LCY080JPY9

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2'-fluoro-2'-deoxycytidine

2.3.2 Depositor-Supplied Synonyms

1. 10212-20-1

2. 2'-fluoro-2'-deoxycytidine

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

4. 4-amino-1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

5. 2-deoxy-2-fluorocytidine

6. Lcy080jpy9

7. Mfcd00057445

8. 4-amino-1-[(2r,3s,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

9. 2'-deoxy-2'-fluoro Cytidine

10. Unii-lcy080jpy9

11. Nsc529432

12. Nsc-529432

13. Fdc

14. Nsc 529432

15. 2'deoxy-2'-fluorocytidine

16. Schembl233120

17. 2'-fluoro-2'- Deoxycytidine

18. Chembl374528

19. 2\'-deoxy-2\'-fluorocytidine

20. 2'-deoxy-2'-(r)-fluoro-cytidine

21. Zinc3817231

22. Hg1103

23. Akos015854842

24. Akos015896915

25. .beta.-d-2'-deoxy-2'-fluorocytidine

26. Cs-w012725

27. Hy-w012009

28. Ncgc00370855-01

29. 4-amino-1-((2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1h)-one

30. As-59691

31. 212d201

32. Q27282917

33. 2'-fluoro-2'-deoxy-.beta.-d-ribofuranosylcytosine

34. 3-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-amino-3-hydropyrimidin-2-one

35. 4-amino-1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one

36. 4-amino-1-[(2r,3r,4r,5r)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidin-2-one

2.4 Create Date

2005-08-01

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂FN₃O₄
Molecular Weight	245.21 g/mol
XLogP3	-1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	245.08118403 g/mol
Monoisotopic Mass	245.08118403 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1