1-(2-Deoxy-beta-D-ribofuranosyl)cytosine hydrochloride

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1-(2-Deoxy-beta-D-ribofuranosyl)cytosine hydrochloride

Also known as: 3992-42-5, Deoxycytidine hydrochloride, Cytidine, 2'-deoxy-, monohydrochloride, 2'-deoxycytidine hcl, 2'-deoxycytidine (hydrochloride), 2'-deoxycytidine monohydrochloride

Molecular Formula

C₉H₁₄ClN₃O₄

Molecular Weight

263.68 g/mol

InChI Key

LTKCXZGFJFAPLY-OERIEOFYSA-N

FDA UNII

X8FX60E66D

1 2D Structure

1-(2-Deoxy-beta-D-ribofuranosyl)cytosine hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride

2.1.2 InChI

InChI=1S/C9H13N3O4.ClH/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8;/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15);1H/t5-,6+,8+;/m0./s1

2.1.3 InChI Key

LTKCXZGFJFAPLY-OERIEOFYSA-N

2.1.4 Canonical SMILES

C1C(C(OC1N2C=CC(=NC2=O)N)CO)O.Cl

2.1.5 Isomeric SMILES

C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O.Cl

2.2 Other Identifiers

2.2.1 UNII

X8FX60E66D

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 3992-42-5

2. Deoxycytidine Hydrochloride

3. Cytidine, 2'-deoxy-, Monohydrochloride

4. 2'-deoxycytidine Hcl

5. 2'-deoxycytidine (hydrochloride)

6. 2'-deoxycytidine Monohydrochloride

7. 25203-63-8

8. X8fx60e66d

9. Cytidine, 2'-deoxy-, Hydrochloride (1:)

10. 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride

11. 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydropyrimidin-2-one Hydrochloride

12. Smr000718803

13. Dc.hcl

14. Unii-x8fx60e66d

15. 2-deoxycytidine Hydrochloride

16. Nsc-83251

17. Cytosine Deoxyriboside Hydrochloride

18. Einecs 223-639-9

19. Einecs 246-732-6

20. Mfcd00012840

21. Nsc 83251

22. Cytidine, 2'-deoxy-, Hydrochloride (1:1)

23. 2'-deoxycytidinehydrochloride

24. 2'-deoycytidine Hydrochloride

25. Mls001306453

26. Mls001332443

27. Mls001332444

28. Schembl552284

29. 2\'-deoxycytidine Hydrochloride

30. Chembl1356971

31. Dtxsid2074956

32. Akos015843820

33. Akos015961323

34. 4-amino-1-((2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1h)-one Hydrochloride

35. As-63599

36. Hy-17564

37. D0048

38. 992d425

39. A824806

40. J-700039

41. Q27293693

42. 2'-deoxycytidine Hydrochloride, Analytical Standard, >=99%

43. 1-(2-deoxy-.beta.-d-ribofuranosyl)cytosine Hydrochloride

44. 2'-deoxycytidine Hydrochloride, Suitable For Cell Culture, Bioreagent

45. 1-(2-deoxy-beta-d-ribofuranosyl)cytosine Hydrochloride, Cytosine Deoxyriboside Hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₄ClN₃O₄
Molecular Weight	263.68 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	263.0672836 g/mol
Monoisotopic Mass	263.0672836 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	355
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	2