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    CAS 6564-72-3

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 6564-72-3, 2,3,4,6-tetra-o-benzyl-d-glucopyranose, 2,3,4,6-tetra-o-benzyl-alpha-d-glucopyranose, (2s,3r,4s,5r,6r)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol, 2,3,4,6-tetra-o-benzyl-a-d-glucopyranose, Mfcd00023849
    Molecular Formula
    C34H36O6
    Molecular Weight
    540.6  g/mol
    InChI Key
    OGOMAWHSXRDAKZ-RUOAZZEASA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
    2.1.2 InChI
    InChI=1S/C34H36O6/c35-34-33(39-24-29-19-11-4-12-20-29)32(38-23-28-17-9-3-10-18-28)31(37-22-27-15-7-2-8-16-27)30(40-34)25-36-21-26-13-5-1-6-14-26/h1-20,30-35H,21-25H2/t30-,31-,32+,33-,34+/m1/s1
    2.1.3 InChI Key
    OGOMAWHSXRDAKZ-RUOAZZEASA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)COCC2C(C(C(C(O2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
    2.1.5 Isomeric SMILES
    C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 6564-72-3

    2. 2,3,4,6-tetra-o-benzyl-d-glucopyranose

    3. 2,3,4,6-tetra-o-benzyl-alpha-d-glucopyranose

    4. (2s,3r,4s,5r,6r)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol

    5. 2,3,4,6-tetra-o-benzyl-a-d-glucopyranose

    6. Mfcd00023849

    7. 2,3,4,6-tetra-o-benzyl-alpha-glucopyranose

    8. Schembl1457585

    9. Dtxsid701223333

    10. Zinc60023450

    11. Akos016008732

    12. Cs-w011468

    13. As-14143

    14. F11423

    15. 2,3,4,6-tetra-o-benzyl-alpha-d-gluco-pyranose

    16. 2-o,3-o,4-o,6-o-tetrabenzyl-alpha-d-glucopyranose

    17. A-dglucopyranose,2,3,4,6-tetrakis-o-(phenylmethyl)-

    18. 2,3,4,6-tetrakis-o-(phenylmethyl)-alpha-d-glucopyranose

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 540.6 g/mol
    Molecular Formula C34H36O6
    XLogP35
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count13
    Exact Mass540.25118886 g/mol
    Monoisotopic Mass540.25118886 g/mol
    Topological Polar Surface Area66.4 Ų
    Heavy Atom Count40
    Formal Charge0
    Complexity665
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1