Manganese Adenosine Triphosphate

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  • Identifiers

    CAS number
    56842-80-9

    Molecular formula
    C10H16MnN5O13P3+2

    SMILES
    C1=NC(=C2C(=N1)N(C=N2)C3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N.[Mn+2]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 83.49%
    Clean 16.75%
    Savory 14.32%
    Cooling 13.76%
    Bitter 13.4%
    Cooked 13.13%
    Alcoholic 13.07%
    Balsamic 11.93%
    Milky 11.29%
    Fresh 11.21%

     

    Flavor
    Odorless 62.76%
    Bitter 40.46%
    Bland 32.4%
    Mild 31.29%
    Very mild 27.62%
    Sweet-like 22.11%
    Yeast 21.8%
    Sour 20.49%
    Faint 19.73%
    Formyl 19.14%

     

    Odor impact est.
    Odorless

  • Properties

    pKa est.
    3.94 (weak acid)

    Molecular weight
    562.12 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    5099°C

    Flash point

    • 454.11 ˚C est.

  • Synonyms

    • Manganese adenosine triphosphate
    • DTXSID901021311
    • RefChem:1088828
    • DTXCID201506368
    • 56842-80-9
    • Manganese ATP
    • [[(2R,3S,4R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate;manganese(2+)
    • MnATP
    • SCHEMBL29670869
    • NS00127228
    • Adenosine 5'-(tetrahydrogentriphosphate), manganese (2+) salt (1:1)
    • 56842-80-9

  • Applications

    Manganese Adenosine Triphosphate is primarily used as a laboratory research reagent, serving as a Mn2+-containing analogue of Mg-ATP for ATP-dependent enzymes. In practice, it is used in in vitro enzymology assays to study ATP binding and hydrolysis by ATPases and kinases, in mechanistic investigations, and in crystallography and biophysical studies of enzyme–substrate interactions. It also finds use in the development of biochemical sensors and in high-throughput screening assays to profile ATPase/kinase activities, and as a controlled substrate source in nucleotide chemistry research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.2
    methanol 0.84
    isopropanol 0.08
    water 2.13
    ethyl acetate 0.05
    n-propanol 0.19
    acetone 0.13
    n-butanol 0.12
    acetonitrile 0.12
    DMF 4.87
    toluene 0.01
    isobutanol 0.08
    1,4-dioxane 0.11
    methyl acetate 0.11
    THF 0.39
    2-butanone 0.19
    n-pentanol 0.06
    sec-butanol 0.1
    n-hexane 0.0
    ethylene glycol 1.96
    NMP 15.09
    cyclohexane 0.01
    DMSO 6.59
    n-butyl acetate 0.09
    n-octanol 0.04
    chloroform 0.03
    n-propyl acetate 0.06
    acetic acid 0.95
    dichloromethane 0.04
    cyclohexanone 0.28
    propylene glycol 1.69
    isopropyl acetate 0.03
    DMAc 4.74
    2-ethoxyethanol 0.88
    isopentanol 0.06
    n-heptane 0.01
    ethyl formate 0.2
    1,2-dichloroethane 0.03
    n-hexanol 0.07
    2-methoxyethanol 3.42
    isobutyl acetate 0.02
    tetrachloromethane 0.01
    n-pentyl acetate 0.06
    transcutol 0.74
    n-heptanol 0.08
    ethylbenzene 0.01
    MIBK 0.04
    2-propoxyethanol 1.28
    tert-butanol 0.05
    MTBE 0.01
    2-butoxyethanol 0.74
    propionic acid 0.52
    o-xylene 0.01
    formic acid 9.81
    diethyl ether 0.03
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.01
    dimethyl carbonate 0.28
    n-octane 0.0
    formamide 8.67
    cyclopentanone 0.78
    2-pentanone 0.11
    anisole 0.02
    cyclopentyl methyl ether 0.1
    gamma-butyrolactone 1.25
    1-methoxy-2-propanol 1.66
    pyridine 0.19
    3-pentanone 0.13
    furfural 2.0
    n-dodecane 0.0
    diethylene glycol 3.1
    diisopropyl ether 0.01
    tert-amyl alcohol 0.07
    acetylacetone 0.13
    n-hexadecane 0.0
    acetophenone 0.07
    methyl propionate 0.19
    isopentyl acetate 0.04
    trichloroethylene 0.06
    n-nonanol 0.04
    cyclohexanol 0.08
    benzyl alcohol 0.05
    2-ethylhexanol 0.04
    isooctanol 0.04
    dipropyl ether 0.08
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.35
    propylene carbonate 0.36
    n-methylformamide 3.1
    2-pentanol 0.05
    n-pentane 0.01
    1-propoxy-2-propanol 0.72
    1-methoxy-2-propyl acetate 0.2
    2-(2-methoxypropoxy) propanol 0.45
    mesitylene 0.01
    ε-caprolactone 0.32
    p-cymene 0.01
    epichlorohydrin 0.35
    1,1,1-trichloroethane 0.01
    2-aminoethanol 1.58
    morpholine-4-carbaldehyde 3.66
    sulfolane 5.75
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.11
    n-hexyl acetate 0.04
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.59
    sec-butyl acetate 0.02
    tert-butyl acetate 0.03
    decalin 0.0
    glycerin 9.76
    diglyme 1.09
    acrylic acid 1.25
    isopropyl myristate 0.01
    n-butyric acid 0.29
    acetyl acetate 0.03
    di(2-ethylhexyl) phthalate 0.04
    ethyl propionate 0.07
    nitromethane 2.08
    1,2-diethoxyethane 0.06
    benzonitrile 0.04
    trioctyl phosphate 0.04
    1-bromopropane 0.02
    gamma-valerolactone 2.22
    n-decanol 0.03
    triethyl phosphate 0.08
    4-methyl-2-pentanol 0.02
    propionitrile 0.1
    vinylene carbonate 0.35
    1,1,2-trichlorotrifluoroethane 2.41
    DMS 0.08
    cumene 0.0
    2-octanol 0.03
    2-hexanone 0.07
    octyl acetate 0.03
    limonene 0.02
    1,2-dimethoxyethane 0.59
    ethyl orthosilicate 0.06
    tributyl phosphate 0.04
    diacetone alcohol 0.25
    N,N-dimethylaniline 0.03
    acrylonitrile 0.26
    aniline 0.05
    1,3-propanediol 1.08
    bromobenzene 0.0
    dibromomethane 0.02
    1,1,2,2-tetrachloroethane 0.06
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.12
    diisobutyl methanol 0.02
    2-phenylethanol 0.05
    styrene 0.01
    dioctyl adipate 0.03
    dimethyl sulfate 1.13
    ethyl butyrate 0.08
    methyl lactate 1.28
    butyl lactate 0.32
    diethyl carbonate 0.06
    propanediol butyl ether 0.74
    triethyl orthoformate 0.1
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.13
    morpholine 0.3
    tert-butylamine 0.02
    n-dodecanol 0.02
    dimethoxymethane 0.82
    ethylene carbonate 0.18
    cyrene 1.45
    2-ethoxyethyl acetate 0.1
    2-ethylhexyl acetate 0.04
    1,2,4-trichlorobenzene 0.02
    4-methylpyridine 0.09
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.4
    dimethyl isosorbide 0.87
    tetrachloroethylene 0.05
    eugenol 0.3
    triacetin 0.1
    span 80 0.27
    1,4-butanediol 0.34
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.03
    methyl formate 1.54
    2-methyl-1-butanol 0.08
    n-decane 0.0
    butyronitrile 0.06
    3,7-dimethyl-1-octanol 0.02
    1-chlorooctane 0.01
    1-chlorotetradecane 0.0
    n-nonane 0.0
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.0
    cyclopentanol 0.19
    tetrahydropyran 0.06
    tert-amyl methyl ether 0.03
    2,5,8-trioxanonane 0.81
    1-hexene 0.01
    2-isopropoxyethanol 0.24
    2,2,2-trifluoroethanol 1.27
    methyl butyrate 0.13

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction