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    2 Deoxy D glucose

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    2D Structure
    Also known as: 2-deoxy-d-glucopyranose, D-arabino-2-deoxyhexose, Chebi:84755, (4r,5s,6r)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,4,5-triol, 2-deoxyhexose, (4r,5s,6r)-6-(hydroxymethyl)oxane-2,4,5-triol
    Molecular Formula
    C6H12O5
    Molecular Weight
    164.16  g/mol
    InChI Key
    PMMURAAUARKVCB-CERMHHMHSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (4R,5S,6R)-6-(hydroxymethyl)oxane-2,4,5-triol
    2.1.2 InChI
    InChI=1S/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2/t3-,4-,5?,6+/m1/s1
    2.1.3 InChI Key
    PMMURAAUARKVCB-CERMHHMHSA-N
    2.1.4 Canonical SMILES
    C1C(C(C(OC1O)CO)O)O
    2.1.5 Isomeric SMILES
    C1[C@H]([C@@H]([C@H](OC1O)CO)O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2-deoxy-d-glucopyranose

    2. D-arabino-2-deoxyhexose

    3. Chebi:84755

    4. (4r,5s,6r)-6-(hydroxymethyl)tetrahydro-2h-pyran-2,4,5-triol

    5. 2-deoxyhexose

    6. (4r,5s,6r)-6-(hydroxymethyl)oxane-2,4,5-triol

    7. Nsc 15193

    8. Smr000857164

    9. 2-deoxyglucopyranose

    10. 2-deoxymannopyranose

    11. 2-dglc

    12. [3h]2-deoxyglucose

    13. [3h]-2-deoxyglucose

    14. Starbld0016184

    15. 2-deoxy-d-mannopyranose

    16. Schembl7669

    17. Mls001332441

    18. Mls001332442

    19. Gtpl4643

    20. Chembl1377788

    21. 2-deoxy-d-glucose, Min. 98%

    22. 2-deoxyglucose (anomeric Mixture)

    23. Bio1_000485

    24. Bio1_000974

    25. Bio1_001463

    26. Dtxsid501019205

    27. Hms2234m06

    28. S4701

    29. Akos024458197

    30. Ac-2616

    31. Bs-1031

    32. Ccg-266307

    33. Cs-1718

    34. Ncgc00247029-01

    35. Ncgc00247029-04

    36. Hy-13966

    37. C00586

    38. 154d176

    39. (4r,5s,6r)-6-methyloltetrahydropyran-2,4,5-triol

    40. Wurcs=2.0/1,1,0/[ad122h-1x_1-5]/1/

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 164.16 g/mol
    Molecular Formula C6H12O5
    XLogP3-1.6
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count1
    Exact Mass164.06847348 g/mol
    Monoisotopic Mass164.06847348 g/mol
    Topological Polar Surface Area90.2 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity128
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1