Zinc adenosine triphosphate

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  • Identifiers

    CAS number
    6602-83-1

    Molecular formula
    C10H14N5O13P3Zn

    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.[Zn+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
    570.5 g/mol

    Flash point

    • 438.34 ˚C est.

  • Synonyms

    • ZnATP
    • Zinc adenosine triphosphate
    • Zn ATP
    • 6602-83-1
    • 3XA63UXU26
    • DTXSID201021310
    • Adenosine 5'-(tetrahydrogen triphosphate), zinc salt (1:1)
    • RefChem:934519
    • DTXCID501506367
    • UNII-3XA63UXU26
    • zinc;(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxymethyl]oxolane-3,4-diolate
    • NS00127227
    • 6602-83-1

  • Applications

    Zinc adenosine triphosphate is primarily used in laboratory settings as a biochemical reagent and a defined source of both Zn2+ and ATP. In research and development, it supports in vitro enzymology studies where Zn2+ acts as a cofactor or modulator of ATP-dependent enzymes, and provides a convenient, single-source supply of nucleotide energy and metal ion in buffer systems. It also serves as a reference material for coordination chemistry and metal–nucleotide complex investigations, and is used in education to illustrate metal–ATP interactions. Additionally, it may be explored as a synthetic intermediate or starting point in the preparation or evaluation of nucleotide–metal derivatives under controlled conditions.

    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
 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