Copper adenosine triphosphate

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  • Identifiers

    CAS number
    18925-86-5

    Molecular formula
    C10H14CuN5O13P3

    SMILES
    C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[O-])[O-])N.[Cu+2]

    Safety labels

  • Odor profile

    Fragrance
    Odorless 85.08%
    Clean 16.31%
    Cooling 14.62%
    Savory 14.22%
    Bitter 13.42%
    Alcoholic 12.87%
    Cooked 12.66%
    Balsamic 11.67%
    Fresh 11.21%
    Milky 11.16%

     

    Flavor
    Odorless 62.38%
    Bitter 45.31%
    Bland 32.81%
    Mild 31.24%
    Very mild 25.96%
    Sweet-like 21.74%
    Yeast 21.52%
    Faint 19.14%
    Nitrile 18.81%
    Formyl 18.72%

     

    Odor impact est.
    Low

  • Properties

    pKa est.
    1.96 (strong acid)

    Molecular weight
    568.71 g/mol

    Flash point

    • 438.34 ˚C est.

  • Synonyms

    • Copper adenosine triphosphate
    • CuATP
    • 18925-86-5
    • Cu ATP
    • TLI9IPJ342
    • DTXSID501021369
    • COPPER NUCLEOTIDE
    • Adenosine 5'-(tetrahydrogen triphosphate), copper(2+) salt (1:1)
    • RefChem:919009
    • DTXCID201506413
    • UNII-TLI9IPJ342
    • copper;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-3,4-diolate
    • 18925-86-5

  • Applications

    Copper adenosine triphosphate (CAS 18925-86-5) is mainly employed in biochemical research as a model copper-nucleotide complex and as a tool to study ATP-binding proteins and copper-dependent enzymes. It serves in spectroscopic and biophysical investigations (UV-Vis, EPR, NMR) of copper-ATP coordination chemistry and enzyme substrates, and is used to develop and validate ATP-detection biosensors and analytical assays. In pharmaceutical and biotech R&D, it is encountered as a research reagent for mechanism studies of copper-ATP interactions. It may also be used in academic teaching and method development as a standardized copper-nucleotide complex reference material.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.66
    methanol 2.92
    isopropanol 0.22
    water 3.97
    ethyl acetate 0.15
    n-propanol 0.54
    acetone 0.48
    n-butanol 0.33
    acetonitrile 0.41
    DMF 14.54
    toluene 0.03
    isobutanol 0.21
    1,4-dioxane 0.33
    methyl acetate 0.34
    THF 1.0
    2-butanone 0.61
    n-pentanol 0.14
    sec-butanol 0.24
    n-hexane 0.01
    ethylene glycol 4.93
    NMP 31.39
    cyclohexane 0.01
    DMSO 19.52
    n-butyl acetate 0.2
    n-octanol 0.08
    chloroform 0.07
    n-propyl acetate 0.16
    acetic acid 2.33
    dichloromethane 0.13
    cyclohexanone 0.73
    propylene glycol 3.76
    isopropyl acetate 0.07
    DMAc 11.59
    2-ethoxyethanol 2.33
    isopentanol 0.14
    n-heptane 0.02
    ethyl formate 0.65
    1,2-dichloroethane 0.1
    n-hexanol 0.13
    2-methoxyethanol 9.24
    isobutyl acetate 0.04
    tetrachloromethane 0.02
    n-pentyl acetate 0.13
    transcutol 1.98
    n-heptanol 0.15
    ethylbenzene 0.02
    MIBK 0.11
    2-propoxyethanol 2.7
    tert-butanol 0.11
    MTBE 0.03
    2-butoxyethanol 1.52
    propionic acid 1.21
    o-xylene 0.03
    formic acid 23.11
    diethyl ether 0.1
    m-xylene 0.02
    p-xylene 0.02
    chlorobenzene 0.02
    dimethyl carbonate 0.69
    n-octane 0.01
    formamide 23.47
    cyclopentanone 1.96
    2-pentanone 0.33
    anisole 0.06
    cyclopentyl methyl ether 0.22
    gamma-butyrolactone 3.1
    1-methoxy-2-propanol 3.98
    pyridine 0.51
    3-pentanone 0.34
    furfural 5.05
    n-dodecane 0.0
    diethylene glycol 6.51
    diisopropyl ether 0.01
    tert-amyl alcohol 0.14
    acetylacetone 0.36
    n-hexadecane 0.0
    acetophenone 0.17
    methyl propionate 0.54
    isopentyl acetate 0.09
    trichloroethylene 0.18
    n-nonanol 0.08
    cyclohexanol 0.16
    benzyl alcohol 0.14
    2-ethylhexanol 0.07
    isooctanol 0.07
    dipropyl ether 0.16
    1,2-dichlorobenzene 0.02
    ethyl lactate 0.75
    propylene carbonate 0.8
    n-methylformamide 9.4
    2-pentanol 0.13
    n-pentane 0.01
    1-propoxy-2-propanol 1.44
    1-methoxy-2-propyl acetate 0.43
    2-(2-methoxypropoxy) propanol 0.95
    mesitylene 0.01
    ε-caprolactone 0.78
    p-cymene 0.02
    epichlorohydrin 1.04
    1,1,1-trichloroethane 0.02
    2-aminoethanol 3.86
    morpholine-4-carbaldehyde 9.08
    sulfolane 11.7
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.27
    n-hexyl acetate 0.1
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 1.35
    sec-butyl acetate 0.06
    tert-butyl acetate 0.06
    decalin 0.0
    glycerin 18.71
    diglyme 2.57
    acrylic acid 2.86
    isopropyl myristate 0.03
    n-butyric acid 0.69
    acetyl acetate 0.08
    di(2-ethylhexyl) phthalate 0.08
    ethyl propionate 0.18
    nitromethane 5.9
    1,2-diethoxyethane 0.16
    benzonitrile 0.11
    trioctyl phosphate 0.08
    1-bromopropane 0.05
    gamma-valerolactone 6.21
    n-decanol 0.06
    triethyl phosphate 0.16
    4-methyl-2-pentanol 0.04
    propionitrile 0.29
    vinylene carbonate 0.85
    1,1,2-trichlorotrifluoroethane 4.82
    DMS 0.18
    cumene 0.01
    2-octanol 0.07
    2-hexanone 0.19
    octyl acetate 0.07
    limonene 0.03
    1,2-dimethoxyethane 1.65
    ethyl orthosilicate 0.12
    tributyl phosphate 0.09
    diacetone alcohol 0.54
    N,N-dimethylaniline 0.07
    acrylonitrile 0.76
    aniline 0.11
    1,3-propanediol 2.66
    bromobenzene 0.01
    dibromomethane 0.07
    1,1,2,2-tetrachloroethane 0.16
    2-methyl-cyclohexyl acetate 0.11
    tetrabutyl urea 0.26
    diisobutyl methanol 0.03
    2-phenylethanol 0.12
    styrene 0.01
    dioctyl adipate 0.08
    dimethyl sulfate 2.53
    ethyl butyrate 0.2
    methyl lactate 2.79
    butyl lactate 0.65
    diethyl carbonate 0.13
    propanediol butyl ether 1.51
    triethyl orthoformate 0.18
    p-tert-butyltoluene 0.02
    methyl 4-tert-butylbenzoate 0.27
    morpholine 0.84
    tert-butylamine 0.03
    n-dodecanol 0.04
    dimethoxymethane 2.39
    ethylene carbonate 0.43
    cyrene 2.71
    2-ethoxyethyl acetate 0.27
    2-ethylhexyl acetate 0.08
    1,2,4-trichlorobenzene 0.04
    4-methylpyridine 0.24
    dibutyl ether 0.05
    2,6-dimethyl-4-heptanol 0.03
    DEF 1.06
    dimethyl isosorbide 1.64
    tetrachloroethylene 0.12
    eugenol 0.62
    triacetin 0.23
    span 80 0.53
    1,4-butanediol 0.79
    1,1-dichloroethane 0.03
    2-methyl-1-pentanol 0.07
    methyl formate 5.08
    2-methyl-1-butanol 0.2
    n-decane 0.01
    butyronitrile 0.18
    3,7-dimethyl-1-octanol 0.04
    1-chlorooctane 0.02
    1-chlorotetradecane 0.01
    n-nonane 0.01
    undecane 0.0
    tert-butylcyclohexane 0.0
    cyclooctane 0.01
    cyclopentanol 0.38
    tetrahydropyran 0.17
    tert-amyl methyl ether 0.07
    2,5,8-trioxanonane 1.82
    1-hexene 0.02
    2-isopropoxyethanol 0.57
    2,2,2-trifluoroethanol 2.55
    methyl butyrate 0.33

    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
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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