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    Diacetone Fructose

    ACTIVE PHARMA INGREDIENTS

    PharmaCompass
    $ API Ref.Price (USD/KG) : 37Xls

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    2D Structure
    Also known as: Diacetonefructose, Diacetone-beta-d-fructose, 2,3:4,5-di-o-isopropylidene-?-d-fructopyranose, Mfcd00022183, Psicose diacetonide, ((3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methanol
    Molecular Formula
    C12H20O6
    Molecular Weight
    260.28  g/mol
    InChI Key
    PSSHGMIAIUYOJF-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methanol
    2.1.2 InChI
    InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3
    2.1.3 InChI Key
    PSSHGMIAIUYOJF-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CO)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Diacetonefructose

    2. Diacetone-beta-d-fructose

    3. 2,3:4,5-di-o-isopropylidene-?-d-fructopyranose

    4. Mfcd00022183

    5. Psicose Diacetonide

    6. ((3as,5ar,8ar,8bs)-2,2,7,7-tetramethyltetrahydro-3ah-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-3a-yl)methanol

    7. Nsc407023

    8. Di-o-isopropylidene-&beta

    9. .beta.-d-fructopyranose, 2,3:4,5-bis-o-(1-methylethylidene)-

    10. Schembl14302975

    11. Stl452973

    12. 205582-81-6

    13. As-13121

    14. Sy074091

    15. Ft-0638057

    16. 2,3:4,5-di-o-isopropylidene-

    17. A-d-fructopyranose

    18. A912144

    19. Fructopyranose,3:4,5-di-o-isopropylidene-, .beta.-d-

    20. Fructopyranose, 2,3:4,5-di-o-isopropylidene-, .beta.-d-

    21. .beta.-d-fructopyranose,3:4,5-bis-o-(1-methylethylidene)-

    22. (2,2,7,7-tetramethyltetrahydro-3ah-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-3a-yl)methanol (non-preferred Name)

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 260.28 g/mol
    Molecular Formula C12H20O6
    XLogP3-0.3
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count1
    Exact Mass260.12598835 g/mol
    Monoisotopic Mass260.12598835 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity355
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count4
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1