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    Chemistry

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    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
    Diacetone Fructose
    1 2D Structure

    Diacetone Fructose

    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

    API Reference Price

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    19-Mar-2021
    17-Oct-2024
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