loader
Please Wait
Applying Filters...

Bora CDMO Bora CDMO

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about 2,3:4,6-Di-O-Isopropylidene-2-Keto-L-Gulonic Acid Monohydrate, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    2,3:4,6-Di-O-Isopropylidene-2-Keto-L-Gulonic Acid Monohydrate

    PRICE INFORMATION

    MARKET PLACE

    PharmaCompass

    Phyton is a World Leader in Plant Cell Fermentation Technology and Commercial Manufacturing.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 68539-16-2, 2,3:4,6-di-o-isopropylidene-2-keto-l-gulonicacidmonohydrate, (1r,2s,6r,8s)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid;hydrate, (-)-2,3:4,6-di-o-isopropylidene-2-keto-l-gulonic acid monohydrate, Dikegulac monohydrate, (3as,3br,7as,8ar)-2,2,5,5-tetramethyltetrahydro-3ah-[1,3]dioxolo[4',5':4,5]furo[3,2-d][1,3]dioxine-8a-carboxylic acid hydrate
    Molecular Formula
    C12H20O8
    Molecular Weight
    292.28  g/mol
    InChI Key
    ZFQRGFMVXLSLKZ-QCILGFJPSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1R,2S,6R,8S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic acid;hydrate
    2.1.2 InChI
    InChI=1S/C12H18O7.H2O/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);1H2/t6-,7+,8-,12+;/m0./s1
    2.1.3 InChI Key
    ZFQRGFMVXLSLKZ-QCILGFJPSA-N
    2.1.4 Canonical SMILES
    CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(=O)O)C.O
    2.1.5 Isomeric SMILES
    CC1(OC[C@H]2[C@@H](O1)[C@H]3[C@@](O2)(OC(O3)(C)C)C(=O)O)C.O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 68539-16-2

    2. 2,3:4,6-di-o-isopropylidene-2-keto-l-gulonicacidmonohydrate

    3. (1r,2s,6r,8s)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane-6-carboxylic Acid;hydrate

    4. (-)-2,3:4,6-di-o-isopropylidene-2-keto-l-gulonic Acid Monohydrate

    5. Dikegulac Monohydrate

    6. (3as,3br,7as,8ar)-2,2,5,5-tetramethyltetrahydro-3ah-[1,3]dioxolo[4',5':4,5]furo[3,2-d][1,3]dioxine-8a-carboxylic Acid Hydrate

    7. Mfcd00150517

    8. 2,3:4,6-di-o-isopropylidene-2-keto-l-gulonic Acid

    9. Schembl2062735

    10. Amy40592

    11. Akos015892738

    12. As-10325

    13. Cs-0017944

    14. F20377

    15. W-203261

    16. W-203523

    17. (-)-2,3:4,6-di-o-isoproyplidene-2-keto-l-gulonic Acid Monohydrate

    18. (-)-2,3:4,6-di-o-isopropylidene-2-keto-l-gulonic Acid Monohydrate, 98%

    19. (−)-2,3:4,6-di-o-isopropylidene-2-keto-l-gulonic Acid Monohydrate

    20. 2,3:4,6-bis-o-(1-methylethylidene)-

    21. A-l-xylo-2-hexulofuranosonic Acid Hydrate (1:1)

    22. A-l-xylo-2-hexulofuranosonic Acid,2,3:4,6-bis-o-(1-methylethylidene)-, Hydrate (1:1)

    23. (3ar,4as,8ar,8bs)-2,2,7,7-tetramethyl-4a,5,8a,8b-tetrahydro-[1,3]dioxolo[3,4]furo[1,3-d][1,3]dioxine-3a-carboxylic Acid;hydrate

    2.3 Create Date
    2007-07-12
    3 Chemical and Physical Properties
    Molecular Weight 292.28 g/mol
    Molecular Formula C12H20O8
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count8
    Rotatable Bond Count1
    Exact Mass292.11581759 g/mol
    Monoisotopic Mass292.11581759 g/mol
    Topological Polar Surface Area84.4 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity418
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
    Post Enquiry
    POST ENQUIRY