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    Technical details about Insp6, learn more about the structure, uses, toxicity, action, side effects and more

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    Insp6

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    PharmaCompass

    With Fermion, start the journey of your innovative API.

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

    2D Structure
    1. Also known as: Myo-inositol hexakisphosphate(12-), (1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexayl hexaphosphate, 3929-21-3, 2lha, 3eeb, 3fzy
    Molecular Formula
    C6H6O24P6-12
    Molecular Weight
    647.94  g/mol
    InChI Key
    IMQLKJBTEOYOSI-UHFFFAOYSA-B
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2,3,4,5,6-pentaphosphonatooxycyclohexyl) phosphate
    2.1.2 InChI
    InChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/p-12
    2.1.3 InChI Key
    IMQLKJBTEOYOSI-UHFFFAOYSA-B
    2.1.4 Canonical SMILES
    C1(C(C(C(C(C1OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-])OP(=O)([O-])[O-]
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Myo-inositol Hexakisphosphate(12-)

    2. (1s,2s,3s,4s,5s,6s)-cyclohexane-1,2,3,4,5,6-hexayl Hexaphosphate

    3. 3929-21-3

    4. 2lha

    5. 3eeb

    6. 3fzy

    7. Insp6

    8. Chebi:58130

    9. Dtxsid001168213

    10. Q27125203

    11. Myo-inositol, Hexakis(dihydrogen Phosphate), Ion(12-)

    12. 1-o,2-o,3-o,4-o,5-o,6-o-hexaphosphonato-myo-inositol

    13. (1r,2s,3r,4r,5s,6s)-cyclohexane-1,2,3,4,5,6-hexayl Hexakis(phosphate)

    14. Myo-inositol, 1,2,3,4,5,6-hexakis(dihydrogen Phosphate), Ion(12-)

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 647.94 g/mol
    Molecular Formula C6H6O24P6-12
    XLogP3-11.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count24
    Rotatable Bond Count6
    Exact Mass647.76747304 g/mol
    Monoisotopic Mass647.76747304 g/mol
    Topological Polar Surface Area435 Ų
    Heavy Atom Count36
    Formal Charge-12
    Complexity749
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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