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    Technical details about CAS 145667-75-0, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 145667-75-0

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    2D Structure
    Also known as: 145667-75-0, Latanoprost lactone diol, (3ar,4r,5r,6as)-5-hydroxy-4-[(3r)-3-hydroxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one, (3ar,4r,5r,6as)-5-hydroxy-4-((r)-3-hydroxy-5-phenyl-pentyl)hexahydro-2h-cyclopenta[b]furan-2-one, Schembl12190696, Dtxsid30437648
    Molecular Formula
    C18H24O4
    Molecular Weight
    304.4  g/mol
    InChI Key
    CQVHXVLSHMRWEC-UTSKFRMZSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (3aR,4R,5R,6aS)-5-hydroxy-4-[(3R)-3-hydroxy-5-phenylpentyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
    2.1.2 InChI
    InChI=1S/C18H24O4/c19-13(7-6-12-4-2-1-3-5-12)8-9-14-15-10-18(21)22-17(15)11-16(14)20/h1-5,13-17,19-20H,6-11H2/t13-,14+,15+,16+,17-/m0/s1
    2.1.3 InChI Key
    CQVHXVLSHMRWEC-UTSKFRMZSA-N
    2.1.4 Canonical SMILES
    C1C(C(C2C1OC(=O)C2)CCC(CCC3=CC=CC=C3)O)O
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]([C@@H]2[C@H]1OC(=O)C2)CC[C@H](CCC3=CC=CC=C3)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 145667-75-0

    2. Latanoprost Lactone Diol

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

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

    5. Schembl12190696

    6. Dtxsid30437648

    7. Hms3649i19

    8. Zinc38440322

    9. Akos015896624

    10. (3ar,4r,5r,6as)-hexahydro-5-hydroxy-4-[(3r)-3-hydroxy-5-phenylpentyl]2h-cyclopenta[b]furan-2-one

    11. Ac-24760

    12. Hy-125946

    13. Cs-0103245

    14. 667l750

    15. Sr-01000946576

    16. J-501156

    17. Sr-01000946576-1

    18. (3ar,4r,5r,6as)-5-hydroxy-4-[(3r)-3-hydroxy-5-phenylpentyl]hexahydro-2h-cyclopenta[b]furan-2-one

    19. (3ar,4r,5r,6as)-hexahydro-5-hydroxy-4-((r)-3-hydroxy-5-phenylpentyl)cyclopenta[b]furan-2-one

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 304.4 g/mol
    Molecular Formula C18H24O4
    XLogP32.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass304.16745924 g/mol
    Monoisotopic Mass304.16745924 g/mol
    Topological Polar Surface Area66.8 Ų
    Heavy Atom Count22
    Formal Charge0
    Complexity377
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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