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    CAS 18680-27-8 manufacturers and suppliers on PharmaCompass

    Client Email Product

    (1S,2S,3R,5S)-(+)-2,3-Pinanediol

    Manufacturers/Suppliers

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    (1S,2S,3R,5S)-(+)-2,3-Pinanediol
    Also known as: 18680-27-8, (1s,2s,3r,5s)-(+)-2,3-pinanediol, (1s,2s,3r,5s)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol, Pinanediol, (+)-, (1s,2s,3r,5s)-(+)-pinanediol, (+)-2-hydroxyisopinocampheol
    Molecular Formula
    C10H18O2
    Molecular Weight
    170.25  g/mol
    InChI Key
    MOILFCKRQFQVFS-OORONAJNSA-N
    FDA UNII
    Y6ZCV4AVRA
    1 2D Structure

    (1S,2S,3R,5S)-(+)-2,3-Pinanediol

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2S,3R,5S)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol
    2.1.2 InChI
    InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m0/s1
    2.1.3 InChI Key
    MOILFCKRQFQVFS-OORONAJNSA-N
    2.1.4 Canonical SMILES
    CC1(C2CC1C(C(C2)O)(C)O)C
    2.1.5 Isomeric SMILES
    C[C@@]1([C@H]2C[C@H](C2(C)C)C[C@H]1O)O
    2.2 Other Identifiers
    2.2.1 UNII
    Y6ZCV4AVRA
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 18680-27-8

    2. (1s,2s,3r,5s)-(+)-2,3-pinanediol

    3. (1s,2s,3r,5s)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

    4. Pinanediol, (+)-

    5. (1s,2s,3r,5s)-(+)-pinanediol

    6. (+)-2-hydroxyisopinocampheol

    7. Mfcd00077851

    8. Y6zcv4avra

    9. (1s,2s,3r,5s)-(+)-pinane-2,3-diol

    10. 2,3-pinanediol, (1s,2s,3r,5s)-(+)-

    11. Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, (1s,2s,3r,5s)-

    12. Pinanediol

    13. (1s,2s,3r,5s)-(+)-2,6,6-trimethylbicyclo(3.1.1)heptane-2,3-diol

    14. Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-, (1s,2s,3r,5s)-

    15. (1s,2s,3r,5s)-(+)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

    16. (1s,2s,3r,5s)-2,3-pinanediol

    17. 2,3-cis/exo-pinanediol

    18. Unii-y6zcv4avra

    19. 2alpha,3alpha-pinanediol

    20. (+)pinanediol

    21. (+) Pinanediol

    22. 2,3-cs/ex-pind

    23. Schembl621468

    24. Chembl4303429

    25. Dtxsid00171941

    26. Moilfckrqfqvfs-ooronajnsa-n

    27. Bcp27431

    28. Cs-d1770

    29. Cx1160

    30. Akos005256255

    31. 2.alpha.,3.alpha.-pinanediol

    32. Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-, (1s-(1alpha,2alpha,3alpha,5alpha))-

    33. As-13984

    34. Bp-30024

    35. Hy-20074

    36. Pd132360

    37. Am20120595

    38. P1934

    39. (1s,2s,3r,5s)-(+)-pinanediol, 99%

    40. A15332

    41. En300-303828

    42. W-201676

    43. Q27294324

    44. Z1255402889

    45. (1 S,2s,3r,5s)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

    46. (1s,2s,3r,55)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

    47. Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-, (1s-(1.alpha.,2.alpha.,3.alpha.,5.alpha.))-

    2.3.2 Other Synonyms

    1. (1s,2s,3r,5s)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

    2. (1s,2s,3r,5s)-(+)-pinanediol

    3. Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, (1s,2s,3r,5s)-

    4. (+)-2-hydroxyisopinocampheol

    5. 18680-27-8

    6. (1s,2s,3r,5s)-(+)-2,6,6-trimethylbicyclo(3.1.1)heptane-2,3-diol

    7. Bicyclo(3.1.1)heptane-2,3-diol, 2,6,6-trimethyl-, (1s,2s,3r,5s)-

    8. (1s,2s,3r,5s)-(+)-2,3-pinanediol

    9. (1s,2s,3r,5s)-(+)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 170.25 g/mol
    Molecular Formula C10H18O2
    XLogP31.1
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count0
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area40.5
    Heavy Atom Count12
    Formal Charge0
    Complexity212
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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