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    Chemistry

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    Also known as: 32233-40-2, (-)-corey lactone diol, Corey lactone diol, (-)-corey lactone, 54423-47-1, (3ar,4s,5r,6as)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
    Molecular Formula
    C8H12O4
    Molecular Weight
    172.18  g/mol
    InChI Key
    VYTZWRCSPHQSFX-GBNDHIKLSA-N
    Crystalline Lactonediol
    1 2D Structure

    Crystalline Lactonediol

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3aR,4S,5R,6aS)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
    2.1.2 InChI
    InChI=1S/C8H12O4/c9-3-5-4-1-8(11)12-7(4)2-6(5)10/h4-7,9-10H,1-3H2/t4-,5-,6-,7+/m1/s1
    2.1.3 InChI Key
    VYTZWRCSPHQSFX-GBNDHIKLSA-N
    2.1.4 Canonical SMILES
    C1C(C(C2C1OC(=O)C2)CO)O
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)C2)CO)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 32233-40-2

    2. (-)-corey Lactone Diol

    3. Corey Lactone Diol

    4. (-)-corey Lactone

    5. 54423-47-1

    6. (3ar,4s,5r,6as)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

    7. (3ar,4s,5r,6as)-5-hydroxy-4-(hydroxymethyl)-hexahydro-2h-cyclopenta[b]furan-2-one

    8. (+/-)-corey Lactone Diol

    9. L-corey Lactone

    10. Rel-coreylactonediol

    11. (-) Corey Lactone

    12. Corey Lactone

    13. Rel-corey Lactone Diol

    14. Schembl439263

    15. Lubiprostone Related Compound 6

    16. Dtxsid10369135

    17. Chebi:167719

    18. Zinc4261954

    19. Mfcd00075234

    20. S5335

    21. (1s,6s,5r,7r)-7-hydroxy-6-(hydroxymethyl)-2-oxabicyclo[3.3.0]octan-3-one

    22. Akos015900009

    23. Akos016015263

    24. Ac-6090

    25. Ccg-266367

    26. Cs-w008393

    27. Ds-5112

    28. Hy-w008393

    29. (3ar,4s,5r,6as)-(-)-hexahydro-5-hydroxy-4-(hydroxymethyl)-2h-cyclopenta[b]furan-2-one

    30. (3ar,4s,5r,6as)-hexahydro-5-hydroxy-4-(hydroxymethyl)-2h-cyclopenta[b]furan-2-one

    31. H1418

    32. F20511

    33. 704c057

    34. J-501165

    35. (+/-)-(3a,4,5,6a)-5-hydroxy-4-(hydroxymethyl)hexahydro-2h-cyclopentafuran-2-one

    36. (3ar,4s, 5r,6as)-hexahydro-5-hydroxy-4-(hydroxymethyl)-2h-cyclopenta[b]furan-2-one

    37. (3ar,4s,5r,6as)-(-)-hexahydro-5-hydroxy-4-hydroxymethyl-2h-cyclopenta[b]furan-2-one

    38. (3ar,4s,5r,6as)-(-)-hexahydro-5-hydroxy-4-(hydroxymethyl)-2h-cyclopenta[b]furan-2-one, 98%

    39. (3ar,4s,5r,6as)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]uran-2-one

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 172.18 g/mol
    Molecular Formula C8H12O4
    XLogP3-0.2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass172.07355886 g/mol
    Monoisotopic Mass172.07355886 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity203
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    API Reference Price

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    17-Feb-2021
    05-Jun-2021
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