CAS 14047-28-0

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2 End Use APIs
5 Related Intermediates

Chemistry

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Also known as: 14047-28-0, (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, 9-hydroxypropyladenine, r-isomer

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=C(N=CN=C21)N)O

2.1.5 Isomeric SMILES

C[C@H](CN1C=NC2=C(N=CN=C21)N)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)-1-(6-amino-9h-purin-9-yl)propan-2-ol

3. (r)-(+)-9-(2-hydroxypropyl)adenine

4. (2r)-1-(6-aminopurin-9-yl)propan-2-ol

5. (r)-(-)-9-(2-hydroxypropyl)adenine

6. 9-hydroxypropyladenine, R-isomer

7. 9-(2-hydroxypropyl)adenine, (r)-

8. 43h6sbp55w

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

10. (2r)-1-(6-amino-9h-purin-9-yl)propan-2-ol

11. (r)-9-[2-(hydroxypropyl] Adenine

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

13. (r)-9-[2-(hydroxypropyl] Adenine(desphosphoryl Tenofovir)

14. Unii-43h6sbp55w

15. Mfcd07369451

16. R-9-(2-hydroxypropyl)adenine [who-dd]

17. D-(-)-9-(2-hydroxypropyl)adenine

18. (desphosphoryl Tenofovir)

19. 9h-purine-9-ethanol, 6-amino-alpha-methyl-, D-

20. 9h-purine-9-ethanol, 6-amino-alpha-methyl-, (r)-

21. R-9-(2-hydroxypropyl)adenine

22. Schembl1393316

23. Dtxsid20332178

24. (r)-9[2-(hydroxy)propyl]adenine

25. Amy40726

26. Zinc2046906

27. (r)-9-[2-(hydroxy)propyl]adenine

28. (r)-9-[2-(hydroxyl)propyl]adenine

29. Akos006286534

30. Akos015855516

31. Ac-8499

32. Db02765

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

34. Ds-16283

35. Db-027177

36. Cs-0040479

37. H1291

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

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

40. 047h280

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

42. W-201193

43. Q27096355

44. 9h-purine-9-ethanol, 2-amino-.alpha.-methyl-, (a9r)-

45. 9h-purine-9-ethanol, 6-amino-.alpha.-methyl-, D-

46. 9h-purine-9-ethanol, 6-amino-.alpha.-methyl-, (r)-

47. 9h-purine-9-ethanol, 6-amino-.alpha.-methyl-, (.alpha.r)-

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₁N₅O
Molecular Weight	193.21 g/mol
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	193.09635999 g/mol
Monoisotopic Mass	193.09635999 g/mol
Topological Polar Surface Area	89.8 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	202
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1