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    Also known as: Hexose diphosphate trisodium salt hydrate, 94333-58-1, Methyl)-3,4,5-trihydroxytetrahydrofuran-2-yl), D-fructose 1,6-diphosphate trisodium salt hydrate, Sodium ((2r,3s,4s)-5-((hydrogenphosphonatooxy), D(+)fructofuranose 1,6-diphosphate trisodium salt hydrate
    Molecular Formula
    C6H11Na3O12P2
    Molecular Weight
    406.06  g/mol
    InChI Key
    TZPGTGQRVXSGQM-WQXRYRFGSA-K
    Fructose-1,6-Diphosphate Sodium
    1 2D Structure

    Fructose-1,6-Diphosphate Sodium

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    trisodium;[(2R,3S,4S)-3,4,5-trihydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]oxolan-2-yl]methyl phosphate
    2.1.2 InChI
    InChI=1S/C6H14O12P2.3Na/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;;;/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15);;;/q;3*+1/p-3/t3-,4-,5+,6?;;;/m1.../s1
    2.1.3 InChI Key
    TZPGTGQRVXSGQM-WQXRYRFGSA-K
    2.1.4 Canonical SMILES
    C(C1C(C(C(O1)(COP(=O)(O)[O-])O)O)O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
    2.1.5 Isomeric SMILES
    C([C@@H]1[C@H]([C@@H](C(O1)(COP(=O)(O)[O-])O)O)O)OP(=O)([O-])[O-].[Na+].[Na+].[Na+]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Hexose Diphosphate Trisodium Salt Hydrate

    2. 94333-58-1

    3. Methyl)-3,4,5-trihydroxytetrahydrofuran-2-yl)

    4. D-fructose 1,6-diphosphate Trisodium Salt Hydrate

    5. Sodium ((2r,3s,4s)-5-((hydrogenphosphonatooxy)

    6. D(+)fructofuranose 1,6-diphosphate Trisodium Salt Hydrate

    7. Sodium ((2r,3s,4s)-5-((hydrogenphosphonatooxy)methyl)-3,4,5-trihydroxytetrahydrofuran-2-yl)methyl Phosphate

    2.3 Create Date
    2013-02-04
    3 Chemical and Physical Properties
    Molecular Weight 406.06 g/mol
    Molecular Formula C6H11Na3O12P2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count12
    Rotatable Bond Count5
    Exact Mass405.94188262 g/mol
    Monoisotopic Mass405.94188262 g/mol
    Topological Polar Surface Area212 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity414
    Isotope Atom Count0
    Defined Atom Stereocenter Count3
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count4

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    1. Anhui Sinotech Industrial
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