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    CAS 1707-77-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 1707-77-3, D-mannitol diacetonide, D-mannitol 1,2:5,6-bis-acetonide, (1s,2s)-1,2-bis[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol, 1,2,5,6-di-o-isopropylidene-d-mannitol, 1,2:5,6-bis-o-(1-methylethylidene)-d-mannitol
    Molecular Formula
    C12H22O6
    Molecular Weight
    262.30  g/mol
    InChI Key
    ODYBCPSCYHAGHA-ZYUZMQFOSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (1S,2S)-1,2-bis[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol
    2.1.2 InChI
    InChI=1S/C12H22O6/c1-11(2)15-5-7(17-11)9(13)10(14)8-6-16-12(3,4)18-8/h7-10,13-14H,5-6H2,1-4H3/t7-,8-,9-,10-/m1/s1
    2.1.3 InChI Key
    ODYBCPSCYHAGHA-ZYUZMQFOSA-N
    2.1.4 Canonical SMILES
    CC1(OCC(O1)C(C(C2COC(O2)(C)C)O)O)C
    2.1.5 Isomeric SMILES
    CC1(OC[C@@H](O1)[C@H]([C@@H]([C@H]2COC(O2)(C)C)O)O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1707-77-3

    2. D-mannitol Diacetonide

    3. D-mannitol 1,2:5,6-bis-acetonide

    4. (1s,2s)-1,2-bis[(4r)-2,2-dimethyl-1,3-dioxolan-4-yl]ethane-1,2-diol

    5. 1,2,5,6-di-o-isopropylidene-d-mannitol

    6. 1,2:5,6-bis-o-(1-methylethylidene)-d-mannitol

    7. (1s,2s)-1,2-bis((r)-2,2-dimethyl-1,3-dioxolan-4-yl)ethane-1,2-diol

    8. Mfcd00003211

    9. Einecs 216-954-8

    10. Mannitol Diacetonide

    11. Schembl768294

    12. 1,2,5,6-diacetone D-mannitol

    13. Dtxsid201284699

    14. Cs-m3080

    15. D-mannitol1,2:5,6-bis-acetonide

    16. Hy-i0703

    17. Zinc4521410

    18. Nsc 47987

    19. Nsc 67545

    20. Nsc 89874

    21. Akos015919884

    22. Akos015924771

    23. Ac-8562

    24. As-16068

    25. 6-bromo-3-fluoro-2-methoxyphenylboronicacid

    26. D2024

    27. F10687

    28. 1,2:5,6-di-o-isopropylidene-d-mannitol, 98%

    29. D-mannitol,1,2:5,6-bis-o-(1-methylethylidene)-

    30. J-650223

    31. Amido Black Staining Solution 2x,amido Black 10b, Naphthol Blue Black Solution

    32. Amido Black Staining Solution 2x,amido Black 10b, Naphthol Blue Black Solution,

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 262.30 g/mol
    Molecular Formula C12H22O6
    XLogP3-0.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count3
    Exact Mass262.14163842 g/mol
    Monoisotopic Mass262.14163842 g/mol
    Topological Polar Surface Area77.4 Ų
    Heavy Atom Count18
    Formal Charge0
    Complexity273
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1