Adenosine-5'-diphosphate

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  • Identifiers

    CAS number
    58-64-0

    Molecular formula
    C10H15N5O10P2

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

    Safety labels

    Irritant
    Irritant

  • Odor profile

    Fragrance
    Odorless 86.67%
    Clean 16.13%
    Savory 15.69%
    Bitter 14.92%
    Cooling 14.44%
    Cooked 13.87%
    Milky 13.08%
    Alcoholic 13.02%
    Sweet 10.89%
    Balsamic 10.73%

     

    Flavor
    Odorless 62.4%
    Bitter 47.86%
    Bland 33.42%
    Mild 30.39%
    Very mild 27.85%
    Sweet-like 23.35%
    Yeast 21.53%
    Faint 19.48%
    Formyl 19.12%
    Urine 19.07%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    -4.6

    pKa est.
    5.84 (weak acid)

    Molecular weight
    427.2 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    4126°C

    Flash point

    • 426.74 ˚C est.

  • Synonyms

    • Adenosine 5'-diphosphate
    • Adenosine diphosphate
    • 58-64-0
    • adenosine-5'-diphosphate
    • ADP
    • Adenosine 5'-(trihydrogen diphosphate)
    • 5'-Adp
    • adenosine pyrophosphate
    • adenosine 5'-pyrophosphate
    • ADP (nucleotide)
    • 5'-Adenylphosphoric acid
    • Adenosindiphosphorsaeure
    • Adenosine 5'-pyrophosphoric acid
    • Adenosine-5'-diphosphat
    • Adenosine 5'-diphosphoric acid
    • Adenosine diphosphoric acid
    • Ado-5'-P-P
    • H3adp
    • 110123-09-6
    • BRN 0067722
    • CHEBI:16761
    • adenosine 5' diphosphate
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
    • MFCD00066473
    • ADENOSINE, 5'-(TRIHYDROGEN PYROPHOSPHATE)
    • 20398-34-9
    • 61D2G4IYVH
    • adenosine-5-diphosphate
    • CHEMBL14830
    • 1,4-Cyclohexadiene-3,3,6,6-d4
    • Dynorphin A (1-13), ala(2)-trp(4)-
    • 104746-05-6
    • 11062-03-6
    • 112360-08-4
    • 17791-27-4
    • 4-(3-Carboxytrimethyleneoxy)-4/'/'-octylazobenzene
    • Adenosine disphosphate
    • ((2R,3S,4R,5R)-5-(6-Amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate
    • [({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
    • Adenosine diphosphate;ADP
    • C10H15N5O10P2
    • EINECS 200-392-5
    • UNII-61D2G4IYVH
    • 1amw
    • 1lkx
    • 1ucn
    • 1xxi
    • 1yrs
    • 2bfr
    • 5'-ADP; ADP; Adenosine 5'-Diphosphoric Acid; Adenosine 5'-Pyrophosphate; Adenosine 5'-Pyrophosphoric Acid;
    • a-ADP
    • 1ao0
    • 1e8h
    • 1hi5
    • 1o0h
    • 1oz4
    • 1t3t
    • 1y8o
    • Adenosine5'-diphosphate
    • ADP.H2
    • bmse000004
    • bmse000935
    • bmse000991
    • Epitope ID:137351
    • adenosine 5 inverted exclamation marka-diphosphate
    • Adenosine Diphosphate (ADP)
    • SCHEMBL24103
    • Adenosine diphosphate (6CI)
    • 4-26-00-03629 (Beilstein Handbook Reference)
    • GTPL1712
    • SCHEMBL18076199
    • Adenosine 5'-Diphosphate-13C5
    • BDBM31995
    • DTXSID60883210
    • 1m74
    • 2c02
    • ADENOSINE DIPHOSPHATE [MI]
    • HY-W010918R
    • Adenosine 5'-diphosphate (Standard)
    • Adenosine-5'-Diphosphate, free acid
    • BDBM50368125
    • PDSP1_001088
    • PDSP2_001072
    • s9368
    • ADENOSINE DIPHOSPHATE [WHO-DD]
    • AKOS022179933
    • Adenosine-5'-(trihydrogen diphosphate)
    • CCG-268971
    • CS-W011634
    • HY-W010918
    • NA10698
    • NA63511
    • s10970
    • Adenosine, 5'-(trihydrogen diphosphate)
    • NCGC00163322-01
    • AC-32145
    • AS-11755
    • BP-58727
    • DB-022410
    • Adenosine 5'-diphosphate, >=95% (HPLC)
    • NS00014781
    • Adenosine diphosphate;Adenosine 5'-diphosphate
    • Adenosine 5'-(trihydrogen diphosphate) (9CI)
    • C00008
    • Adenosine 5'-(trihydrogen pyrophosphate) (8CI)
    • EN300-1588520
    • Q185253
    • 9-{5-O-[hydroxy(phosphonooxy)phosphoryl]-b-D-glycero-pentofuranosyl}-9H-purin-6-amine
    • 9H-Purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-.beta.-D-ribofuranosyl]-
    • 9H-purin-6-amine, 9-[5-O-[hydroxy(phosphonooxy)phosphinyl]-beta-D-glycero-pentofuranosyl]-
    • [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate

  • Applications

    Adenosine-5'-diphosphate (CAS 58-64-0) is primarily used in biochemical and biotechnology contexts as a substrate in ATP-regeneration systems, supporting ATP supply for in vitro enzyme assays and kinase activity measurements. It also serves as an analytical standard for quantifying nucleotides in LC-MS/HPLC methods and as a starting material or intermediate in nucleotide synthesis workflows used in research and pharmaceutical biotech manufacturing. In addition, ADP is used in cell-free protein synthesis and other energetics-related studies to probe ADP/ATP balance in biochemical systems. These applications are subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.11
    methanol 0.35
    isopropanol 0.07
    water 1.84
    ethyl acetate 0.02
    n-propanol 0.14
    acetone 0.07
    n-butanol 0.12
    acetonitrile 0.08
    DMF 1.64
    toluene 0.01
    isobutanol 0.07
    1,4-dioxane 0.08
    methyl acetate 0.05
    THF 0.35
    2-butanone 0.12
    n-pentanol 0.06
    sec-butanol 0.1
    n-hexane 0.0
    ethylene glycol 0.92
    NMP 9.15
    cyclohexane 0.01
    DMSO 4.44
    n-butyl acetate 0.06
    n-octanol 0.04
    chloroform 0.02
    n-propyl acetate 0.03
    acetic acid 0.49
    dichloromethane 0.02
    cyclohexanone 0.25
    propylene glycol 0.9
    isopropyl acetate 0.01
    DMAc 2.65
    2-ethoxyethanol 0.66
    isopentanol 0.07
    n-heptane 0.01
    ethyl formate 0.11
    1,2-dichloroethane 0.02
    n-hexanol 0.08
    2-methoxyethanol 2.03
    isobutyl acetate 0.01
    tetrachloromethane 0.01
    n-pentyl acetate 0.04
    transcutol 0.4
    n-heptanol 0.09
    ethylbenzene 0.01
    MIBK 0.03
    2-propoxyethanol 0.95
    tert-butanol 0.05
    MTBE 0.01
    2-butoxyethanol 0.61
    propionic acid 0.27
    o-xylene 0.01
    formic acid 5.66
    diethyl ether 0.02
    m-xylene 0.01
    p-xylene 0.01
    chlorobenzene 0.0
    dimethyl carbonate 0.09
    n-octane 0.01
    formamide 4.89
    cyclopentanone 0.57
    2-pentanone 0.07
    anisole 0.01
    cyclopentyl methyl ether 0.09
    gamma-butyrolactone 0.72
    1-methoxy-2-propanol 0.97
    pyridine 0.12
    3-pentanone 0.08
    furfural 1.0
    n-dodecane 0.0
    diethylene glycol 2.03
    diisopropyl ether 0.01
    tert-amyl alcohol 0.08
    acetylacetone 0.06
    n-hexadecane 0.0
    acetophenone 0.04
    methyl propionate 0.07
    isopentyl acetate 0.04
    trichloroethylene 0.03
    n-nonanol 0.04
    cyclohexanol 0.09
    benzyl alcohol 0.04
    2-ethylhexanol 0.05
    isooctanol 0.05
    dipropyl ether 0.07
    1,2-dichlorobenzene 0.01
    ethyl lactate 0.21
    propylene carbonate 0.19
    n-methylformamide 1.21
    2-pentanol 0.06
    n-pentane 0.01
    1-propoxy-2-propanol 0.53
    1-methoxy-2-propyl acetate 0.1
    2-(2-methoxypropoxy) propanol 0.33
    mesitylene 0.0
    ε-caprolactone 0.24
    p-cymene 0.01
    epichlorohydrin 0.19
    1,1,1-trichloroethane 0.01
    2-aminoethanol 0.86
    morpholine-4-carbaldehyde 1.84
    sulfolane 3.91
    2,2,4-trimethylpentane 0.0
    2-methyltetrahydrofuran 0.12
    n-hexyl acetate 0.03
    isooctane 0.0
    2-(2-butoxyethoxy)ethanol 0.44
    sec-butyl acetate 0.01
    tert-butyl acetate 0.02
    decalin 0.0
    glycerin 5.6
    diglyme 0.74
    acrylic acid 0.54
    isopropyl myristate 0.01
    n-butyric acid 0.19
    acetyl acetate 0.01
    di(2-ethylhexyl) phthalate 0.03
    ethyl propionate 0.04
    nitromethane 0.72
    1,2-diethoxyethane 0.04
    benzonitrile 0.03
    trioctyl phosphate 0.04
    1-bromopropane 0.01
    gamma-valerolactone 1.25
    n-decanol 0.03
    triethyl phosphate 0.07
    4-methyl-2-pentanol 0.02
    propionitrile 0.08
    vinylene carbonate 0.15
    1,1,2-trichlorotrifluoroethane 1.37
    DMS 0.03
    cumene 0.0
    2-octanol 0.04
    2-hexanone 0.06
    octyl acetate 0.02
    limonene 0.02
    1,2-dimethoxyethane 0.48
    ethyl orthosilicate 0.06
    tributyl phosphate 0.03
    diacetone alcohol 0.19
    N,N-dimethylaniline 0.02
    acrylonitrile 0.14
    aniline 0.03
    1,3-propanediol 0.83
    bromobenzene 0.0
    dibromomethane 0.01
    1,1,2,2-tetrachloroethane 0.04
    2-methyl-cyclohexyl acetate 0.05
    tetrabutyl urea 0.11
    diisobutyl methanol 0.02
    2-phenylethanol 0.05
    styrene 0.0
    dioctyl adipate 0.02
    dimethyl sulfate 0.41
    ethyl butyrate 0.07
    methyl lactate 0.6
    butyl lactate 0.21
    diethyl carbonate 0.04
    propanediol butyl ether 0.47
    triethyl orthoformate 0.08
    p-tert-butyltoluene 0.01
    methyl 4-tert-butylbenzoate 0.09
    morpholine 0.2
    tert-butylamine 0.02
    n-dodecanol 0.02
    dimethoxymethane 0.38
    ethylene carbonate 0.1
    cyrene 1.01
    2-ethoxyethyl acetate 0.05
    2-ethylhexyl acetate 0.03
    1,2,4-trichlorobenzene 0.01
    4-methylpyridine 0.05
    dibutyl ether 0.02
    2,6-dimethyl-4-heptanol 0.02
    DEF 0.24
    dimethyl isosorbide 0.61
    tetrachloroethylene 0.03
    eugenol 0.2
    triacetin 0.05
    span 80 0.19
    1,4-butanediol 0.27
    1,1-dichloroethane 0.01
    2-methyl-1-pentanol 0.04
    methyl formate 0.57
    2-methyl-1-butanol 0.09
    n-decane 0.01
    butyronitrile 0.05
    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 0.22
    tetrahydropyran 0.06
    tert-amyl methyl ether 0.03
    2,5,8-trioxanonane 0.58
    1-hexene 0.01
    2-isopropoxyethanol 0.17
    2,2,2-trifluoroethanol 0.79
    methyl butyrate 0.08

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
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Category 2
Products applied to the axillae
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Leave-on products applied to the hair with some hand contact
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Category 3
Products applied to the face/body using fingertips
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Products with significant anogenital exposure
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Category 4
Products related to fine fragrance
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Products with body and hand exposure, primarily rinse off
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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
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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
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