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CAS 14047-28-0
PharmaCompass
CAS 14047-28-0
Also known as: 14047-28-0, (r)-9-(2-hydroxypropyl)adenine, (r)-1-(6-amino-9h-purin-9-yl)propan-2-ol, (r)-(+)-9-(2-hydroxypropyl)adenine, (2r)-1-(6-aminopurin-9-yl)propan-2-ol, (r)-9-(2-hydroxypropyl) adenine
Molecular Formula
C8H11N5O
Molecular Weight
193.21  g/mol
InChI Key
MJZYTEBKXLVLMY-RXMQYKEDSA-N
FDA UNII
43H6SBP55W

1 2D Structure

CAS 14047-28-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R)-1-(6-aminopurin-9-yl)propan-2-ol
2.1.2 InChI
InChI=1S/C8H11N5O/c1-5(14)2-13-4-12-6-7(9)10-3-11-8(6)13/h3-5,14H,2H2,1H3,(H2,9,10,11)/t5-/m1/s1
2.1.3 InChI Key
MJZYTEBKXLVLMY-RXMQYKEDSA-N
2.1.4 Canonical SMILES
CC(CN1C=NC2=C1N=CN=C2N)O
2.1.5 Isomeric SMILES
C[C@H](CN1C=NC2=C1N=CN=C2N)O
2.2 Other Identifiers
2.2.1 UNII
43H6SBP55W
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 14047-28-0

2. (r)-9-(2-hydroxypropyl)adenine

3. (r)-1-(6-amino-9h-purin-9-yl)propan-2-ol

4. (r)-(+)-9-(2-hydroxypropyl)adenine

5. (2r)-1-(6-aminopurin-9-yl)propan-2-ol

6. (r)-9-(2-hydroxypropyl) Adenine

7. 9-hydroxypropyladenine, R-isomer

8. Ak-59150

9. W-201193

10. Unii-43h6sbp55w

11. Pubchem9984

12. Ac1l9hlr

13. D0x1hx

14. Ksc522e2h

15. R-9-(2-hydroxypropyl)adenine

16. Tenofovir Related Compound 11

17. 43h6sbp55w

18. Schembl1393316

19. 9h-purine-9-ethanol, 6-amino-alpha-methyl-, (alphar)-

20. Ctk4c2223

21. Dtxsid20332178

22. Mjzytebkxlvlmy-rxmqykedsa-n

23. Molport-019-903-826

24. (r)-9[2-(hydroxy)propyl]adenine

25. Zinc2046906

26. (r)-9-[2-(hydroxy)propyl]adenine

27. (r)-9-[2-(hydroxyl)propyl]adenine

28. Anw-46026

29. Ch-660

30. Ch0018

31. Mfcd07369451

32. Sbb070343

33. Akos006286534

34. Akos015855516

35. Ac-8499

36. Db02765

37. Ls30291

38. Rl01720

39. Ks-0000091h

40. (r)-6-amino-9-(2-hydroxypropyl)purine

41. Aj-33424

42. Cj-07722

43. Ds-16283

44. Kb-03352

45. Sc-44459

46. Sy022843

47. Ab0022248

48. Ax8005306

49. Db-027177

50. St2402576

51. Tc-020175

52. Bg01510070

53. Cs-0040479

54. Ft-0602271

55. W3063

56. (r)-9-(2-hydroxypropyl)adenine, Aldrichcpr

57. Z-3439

58. (2r)-1-(6-amino-9h-purin-9-yl)propan-2-ol

59. (r)-1-(6-amino-9h-purine-9-yl)-2-propanol

60. 9h-purine-9-ethanol,6-amino-a-methyl-, (ar)-

61. 047h280

62. I14-6501

63. (r)-9-(2-hydroxypropyl)adenine (desphosphoryltenofovir)

64. 9h-purine-9-ethanol, 2-amino-.alpha.-methyl-, (a9r)-

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 193.21 g/mol
Molecular Formula C8H11N5O
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass193.096 g/mol
Monoisotopic Mass193.096 g/mol
Topological Polar Surface Area89.8 A^2
Heavy Atom Count14
Formal Charge0
Complexity202
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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