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    CAS 14047-28-0

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    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

    2D Structure

    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 Weight 193.21 g/mol
    Molecular Formula C8H11N5O
    XLogP3-0.4
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count2
    Exact Mass193.09635999 g/mol
    Monoisotopic Mass193.09635999 g/mol
    Topological Polar Surface Area89.8 Ų
    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