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    Also known as: 2,5-anhydro-d-glucitol-1,6-diphosphate, 4429-47-4, [(2r,3s,4s,5s)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate, Schembl20154711, Zinc3870733, 2,5-anhydroglucitol 1,6-bisphosphate
    Molecular Formula
    C6H14O11P2
    Molecular Weight
    324.12  g/mol
    InChI Key
    WSMBXSQDFPTODV-JGWLITMVSA-N
    2,5-Anhydroglucitol-1,6-Biphosphate
    Fructose 1,6-bisphosphate is a metabolite found in or produced by Saccharomyces cerevisiae.
    1 2D Structure

    2,5-Anhydroglucitol-1,6-Biphosphate

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(2R,3S,4S,5S)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl dihydrogen phosphate
    2.1.2 InChI
    InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
    2.1.3 InChI Key
    WSMBXSQDFPTODV-JGWLITMVSA-N
    2.1.4 Canonical SMILES
    C(C1C(C(C(O1)COP(=O)(O)O)O)O)OP(=O)(O)O
    2.1.5 Isomeric SMILES
    C([C@@H]1[C@H]([C@@H]([C@@H](O1)COP(=O)(O)O)O)O)OP(=O)(O)O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2,5-anhydro-d-glucitol-1,6-diphosphate

    2. 4429-47-4

    3. [(2r,3s,4s,5s)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]methyl Dihydrogen Phosphate

    4. Schembl20154711

    5. Zinc3870733

    6. 2,5-anhydroglucitol 1,6-bisphosphate

    7. Db02778

    8. 2,5-anhydro-d-glucitol1,6-diphosphate

    9. 2,5-anhydro-d-glucitol 1,6-diphosphate

    10. 2,5-anhydro-1,6-di-o-phosphono-d-glucitol

    11. 2,5-anhydro-d-glucitol 1,6-bisphosphoric Acid

    12. W-202770

    13. 2,5-anhydro-d-glucitol-1,6-diphosphate Is Known As A Phosphofructokinase Inhibitor.

    14. Wurcs=2.0/1,1,0/[h2122h_2-5_1*opo/3o/3=o_6*opo/3o/3=o]/1/

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 324.12 g/mol
    Molecular Formula C6H14O11P2
    XLogP3-4.8
    Hydrogen Bond Donor Count6
    Hydrogen Bond Acceptor Count11
    Rotatable Bond Count6
    Exact Mass324.00113525 g/mol
    Monoisotopic Mass324.00113525 g/mol
    Topological Polar Surface Area183 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity351
    Isotope Atom Count0
    Defined Atom Stereocenter Count4
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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