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    CAS 13265-84-4

    PharmaCompass
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    2D Structure
    Also known as: 13265-84-4, (2r,3s,4r)-2-(hydroxymethyl)-3,4-dihydro-2h-pyran-3,4-diol, Glucal, D-arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-, 26566-29-0, Rel-(2r,3s,4r)-2-(hydroxymethyl)-3,4-dihydro-2h-pyran-3,4-diol
    Molecular Formula
    C6H10O4
    Molecular Weight
    146.14  g/mol
    InChI Key
    YVECGMZCTULTIS-PBXRRBTRSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4-diol
    2.1.2 InChI
    InChI=1S/C6H10O4/c7-3-5-6(9)4(8)1-2-10-5/h1-2,4-9H,3H2/t4-,5-,6+/m1/s1
    2.1.3 InChI Key
    YVECGMZCTULTIS-PBXRRBTRSA-N
    2.1.4 Canonical SMILES
    C1=COC(C(C1O)O)CO
    2.1.5 Isomeric SMILES
    C1=CO[C@@H]([C@H]([C@@H]1O)O)CO
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 1,2-dideoxy-d-arabino-hex-1-enopyranose

    2.2.2 Depositor-Supplied Synonyms

    1. 13265-84-4

    2. (2r,3s,4r)-2-(hydroxymethyl)-3,4-dihydro-2h-pyran-3,4-diol

    3. Glucal

    4. D-arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-

    5. 26566-29-0

    6. Rel-(2r,3s,4r)-2-(hydroxymethyl)-3,4-dihydro-2h-pyran-3,4-diol

    7. Mfcd09039277

    8. Dgo

    9. D-(+)-glucal

    10. D-glucal, 96%

    11. Schembl154476

    12. Chembl2115567

    13. Dtxsid60157685

    14. Amy32678

    15. Zinc4284522

    16. Ac7562

    17. Akos015924783

    18. 1,2-dideoxy-d-arabino-1-hexenopyranose

    19. Cs-11265

    20. Cs-0204658

    21. G0274

    22. 265g844

    23. A806470

    24. Q5572298

    2.3 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 146.14 g/mol
    Molecular Formula C6H10O4
    XLogP3-1
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count1
    Exact Mass146.05790880 g/mol
    Monoisotopic Mass146.05790880 g/mol
    Topological Polar Surface Area69.9 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity134
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1