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Identification

Chemical structure
Display Name:
Fytic acid
EC Number:
201-506-6
EC Name:
Fytic acid
CAS Number:
83-86-3
Molecular formula:
C6H18O24P6
IUPAC Name:
{[(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid

Type of Substance

Composition:
UVCB
Origin:
organic

Substance Identifiers open all close all

  • 201-506-6
  • 83-86-3
  • Phytic acid
  • Esters of phosphoric acid with myo-Inositol
    (UVCB name)

    Compositions

    Boundary Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Fytic acid
    EC Number:
    201-506-6
    EC Name:
    Fytic acid
    CAS Number:
    83-86-3
    Molecular formula:
    C6H18O24P6
    IUPAC Name:
    {[(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
    Constituent 2
    Chemical structure
    Reference substance name:
    myo-​Inositol, pentakis(dihydrogen phosphate)
    CAS Number:
    25663-09-6
    Molecular formula:
    C6 H17 O21 P5
    IUPAC Name:
    myo-​Inositol, pentakis(dihydrogen phosphate)
    Constituent 3
    Chemical structure
    Reference substance name:
    Water
    EC Number:
    231-791-2
    EC Name:
    Water
    CAS Number:
    7732-18-5
    Molecular formula:
    H2O
    IUPAC Name:
    Aqua; Water
    Constituent 4
    Chemical structure
    Reference substance name:
    myo-Inositol, tetrakis(dihydrogen phosphate)
    Molecular formula:
    C6H16O18P4
    IUPAC Name:
    myo-Inositol, tetrakis(dihydrogen phosphate)
    Constituent 5
    Chemical structure
    Reference substance name:
    Orthophosphoric acid
    EC Number:
    231-633-2
    EC Name:
    Orthophosphoric acid
    CAS Number:
    7664-38-2
    Molecular formula:
    H3O4P
    IUPAC Name:
    Phosphoric Acid
    Constituent 6
    Chemical structure
    Reference substance name:
    myo-Inositol, tris(dihydrogen phosphate)
    Molecular formula:
    C6H15O15P3
    IUPAC Name:
    myo-Inositol, tris(dihydrogen phosphate)

    Legal Entity Composition(s) open all close all

    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Fytic acid
    EC Number:
    201-506-6
    EC Name:
    Fytic acid
    CAS Number:
    83-86-3
    Molecular formula:
    C6H18O24P6
    IUPAC Name:
    {[(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
    Constituent 2
    Chemical structure
    Reference substance name:
    myo-​Inositol, pentakis(dihydrogen phosphate)
    CAS Number:
    25663-09-6
    Molecular formula:
    C6 H17 O21 P5
    IUPAC Name:
    myo-​Inositol, pentakis(dihydrogen phosphate)
    Constituent 3
    Chemical structure
    Reference substance name:
    Water
    EC Number:
    231-791-2
    EC Name:
    Water
    CAS Number:
    7732-18-5
    Molecular formula:
    H2O
    IUPAC Name:
    Aqua; Water
    Constituent 4
    Chemical structure
    Reference substance name:
    myo-Inositol, tetrakis(dihydrogen phosphate)
    Molecular formula:
    C6H16O18P4
    IUPAC Name:
    myo-Inositol, tetrakis(dihydrogen phosphate)
    Constituent 5
    Chemical structure
    Reference substance name:
    Orthophosphoric acid
    EC Number:
    231-633-2
    EC Name:
    Orthophosphoric acid
    CAS Number:
    7664-38-2
    Molecular formula:
    H3O4P
    IUPAC Name:
    Phosphoric Acid
    Constituent 6
    Chemical structure
    Reference substance name:
    myo-Inositol, tris(dihydrogen phosphate)
    Molecular formula:
    C6H15O15P3
    IUPAC Name:
    myo-Inositol, tris(dihydrogen phosphate)
    State Form:
    liquid


    Constituent 1
    Reference substance name:
    1,2,3,4,5,6-Hexahydroxycoclohexane
    CAS Number:
    87-89-8
    Molecular formula:
    C6H12O6
    IUPAC Name:
    1,2,3,4,5,6-Hexahydroxycoclohexane
    Constituent 2
    Reference substance name:
    [(1S,2R,4S,5R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate
    CAS Number:
    208584-52-5
    Molecular formula:
    C6H14O12P2
    IUPAC Name:
    [(1S,2R,4S,5R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl] dihydrogen phosphate
    Constituent 3
    Reference substance name:
    [(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
    CAS Number:
    15421-51-9
    Molecular formula:
    C6H13O9P
    IUPAC Name:
    [(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] dihydrogen phosphate
    Constituent 4
    Chemical structure
    Reference substance name:
    Water
    EC Number:
    231-791-2
    EC Name:
    Water
    CAS Number:
    7732-18-5
    Molecular formula:
    H2O
    IUPAC Name:
    Aqua; Water
    Constituent 5
    Reference substance name:
    [(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
    Molecular formula:
    ‎C6H15O15P3
    IUPAC Name:
    [(1R,2S,3R,4R,5S,6R)-2,3,5-trihydroxy-4,6-diphosphonooxycyclohexyl] dihydrogen phosphate
    Constituent 6
    Reference substance name:
    {[(2S,3R,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid
    Molecular formula:
    C6H16O18P4
    IUPAC Name:
    {[(2S,3R,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}phosphonic acid
    Constituent 7
    Reference substance name:
    (2-hydroxy-3,4,5,6-tetraphosphonooxycyclohexyl) dihydrogen phosphate
    CAS Number:
    25663-09-6
    Molecular formula:
    C6H17O21P5
    IUPAC Name:
    (2-hydroxy-3,4,5,6-tetraphosphonooxycyclohexyl) dihydrogen phosphate
    Constituent 8
    Chemical structure
    Reference substance name:
    myo-inositol hexakis(dihydrogen phosphate)
    Molecular formula:
    C6H18O24P6
    IUPAC Name:
    myo-inositol hexakis(dihydrogen phosphate)
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Fytic acid
    EC Number:
    201-506-6
    EC Name:
    Fytic acid
    CAS Number:
    83-86-3
    Molecular formula:
    C6H18O24P6
    IUPAC Name:
    {[(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid
    Constituent 2
    Chemical structure
    Reference substance name:
    Water
    EC Number:
    231-791-2
    EC Name:
    Water
    CAS Number:
    7732-18-5
    Molecular formula:
    H2O
    IUPAC Name:
    Aqua; Water
    Constituent 3
    Chemical structure
    Reference substance name:
    (2-hydroxy-3,4,5,6-tetraphosphonooxycyclohexyl) dihydrogen phosphate
    CAS Number:
    25663-09-6
    Molecular formula:
    C6H17O21P5
    IUPAC Name:
    (2-hydroxy-3,4,5,6-tetraphosphonooxycyclohexyl) dihydrogen phosphate
    Constituent 4
    Chemical structure
    Reference substance name:
    myo-Inositol, tetrakis(dihydrogen phosphate)
    Molecular formula:
    C6H16O18P4
    IUPAC Name:
    myo-Inositol, tetrakis(dihydrogen phosphate)
    Constituent 5
    Chemical structure
    Reference substance name:
    myo-Inositol, tris(dihydrogen phosphate)
    Molecular formula:
    C6H15O15P3
    IUPAC Name:
    myo-Inositol, tris(dihydrogen phosphate)
    Constituent 6
    Chemical structure
    Reference substance name:
    Orthophosphoric acid
    EC Number:
    231-633-2
    EC Name:
    Orthophosphoric acid
    CAS Number:
    7664-38-2
    Molecular formula:
    H3O4P
    IUPAC Name:
    Phosphoric Acid
    Constituent 7
    Chemical structure
    Reference substance name:
    Sodium
    EC Number:
    231-132-9
    EC Name:
    Sodium
    CAS Number:
    7440-23-5
    Molecular formula:
    Na
    IUPAC Name:
    sodium
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]
    Molecular formula:
    C6H18O24P6
    IUPAC Name:
    cyclohexane-1,2,3,4,5,6-hexayl hexakis[dihydrogen (phosphate)]
    Constituent 2
    Chemical structure
    Reference substance name:
    6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
    Molecular formula:
    C6H17O21P5
    IUPAC Name:
    6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)]
    Constituent 3
    Chemical structure
    Reference substance name:
    Orthophosphoric acid
    EC Number:
    231-633-2
    EC Name:
    Orthophosphoric acid
    CAS Number:
    7664-38-2
    Molecular formula:
    H3O4P
    IUPAC Name:
    Phosphoric Acid
    Constituent 4
    Chemical structure
    Reference substance name:
    Water
    EC Number:
    231-791-2
    EC Name:
    Water
    CAS Number:
    7732-18-5
    Molecular formula:
    H2O
    IUPAC Name:
    Aqua; Water
    State Form:
    liquid


    Constituent 1
    Chemical structure
    Reference substance name:
    Fytic acid
    EC Number:
    201-506-6
    EC Name:
    Fytic acid
    CAS Number:
    83-86-3
    Molecular formula:
    C6H18O24P6
    IUPAC Name:
    {[(1S,2R,3r,4S,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]oxy}phosphonic acid