[[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate

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  • Identifiers

    CAS number
    1280130-08-6

    Molecular formula
    C19H30N5O10P

    SMILES
    C[C@@H](CN1C=NC2=C(N=CN=C21)N)OCP(=O)(OCOC(=O)OC(C)C)OCOC(=O)OC(C)C

  • Odor profile

    Fragrance
    Odorless 65.84%
    Fresh 20.78%
    Grape 18.43%
    Cooling 18.01%
    Floral 17.27%
    Clean 16.25%
    Winey 15.42%
    Mint 14.72%
    Herbal 14.68%
    Milky 14.53%

     

    Flavor
    Bitter 70.59%
    Odorless 36.06%
    Fruity 33.5%
    Mild 31.09%
    Bland 29.4%
    Sweet-like 21.17%
    Marshmallow 19.85%
    Very mild 19.59%
    Cedarleaf 19.34%
    Yeast 19.31%

     

    Odor impact est.
    Odorless

  • Properties

    XLogP3-AA
    1.6

    pKa est.
    3.19 (weak acid)

    Molecular weight
    519.4 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra fast

    Boiling point est.
    182°C

    Flash point

    • 279.88 ˚C est.

  • Synonyms

    • 1280130-08-6
    • TLO785XZL3
    • Tenofovir disoproxil (S)-enantiomer
    • UNII-TLO785XZL3
    • Tenofovir disoproxil fumarate impurity G [WHO-IP]
    • [[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yl carbonate
    • 2,4,6,8-Tetraoxa-5-phosphanonanedioic acid, 5-(((1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-, 1,9-bis(1-methylethyl) ester, 5-oxide
    • Bis(1-methylethyl) 5-(((1S)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy)methyl)-5-oxo-2,4,6,8-tetraoxa-5-lambda5-phosphanonanedioate [WHO-IP]
    • Tenofovir S-Enantiomer
    • SCHEMBL18907027
    • (S)-Isomer of Tenofovir Disoproxil
    • 5-[[(1S)-2-(6-Amino-9H-purin-9-yl)-1-methylethoxy]methyl]-2,4,6,8-tetraoxa-5-phosphanonanedioic acid 1,9-bis(1-methylethyl) ester 5-oxide
    • (S)-(((((1-(6-Amino-9H-purin-9-yl)propan-2-yl)oxy)methyl)phosphoryl)bis(oxy))bis(methylene) Diisopropyl Dicarbonate
    • BIS(1-METHYLETHYL) 5-(((1S)-2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY)METHYL)-5-OXO-2,4,6,8-TETRAOXA-5-.LAMBDA.5-PHOSPHANONANEDIOATE [WHO-IP]

  • Applications

    The compound [[(2S)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(propan-2-yloxycarbonyloxymethoxy)phosphoryl]oxymethyl propan-2-yyl carbonate (CAS 1280130-08-6) is used as an advanced intermediate in nucleotide chemistry and pharmaceutical R&D. It serves as a protected phosphate ester building block and/or activated monomer for synthesizing nucleotide derivatives and oligonucleotides, and may function as a precursor for nucleotide-like polymers and bioconjugates, including self-immolative linker concepts in drug-delivery systems. In biotech and medicinal chemistry, it is commonly evaluated for use in nucleotide-based synthesis and as a reagent in prodrug development or delivery research. In research and industrial contexts, it can be employed as an intermediate or toolkit component for routes to nucleotide-containing compounds and for biochemical assays requiring nucleotide analog substrates. Its utilization is typically limited to research and development and is subject to local regulations and formulation limits.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 13.81
    methanol 41.51
    isopropanol 5.61
    water 22.03
    ethyl acetate 6.74
    n-propanol 13.31
    acetone 22.8
    n-butanol 8.03
    acetonitrile 15.04
    DMF 107.52
    toluene 1.93
    isobutanol 6.82
    1,4-dioxane 5.61
    methyl acetate 16.27
    THF 17.18
    2-butanone 21.4
    n-pentanol 5.25
    sec-butanol 8.01
    n-hexane 0.16
    ethylene glycol 25.85
    NMP 302.91
    cyclohexane 0.21
    DMSO 127.47
    n-butyl acetate 4.13
    n-octanol 1.3
    chloroform 39.21
    n-propyl acetate 5.16
    acetic acid 111.41
    dichloromethane 51.16
    cyclohexanone 26.73
    propylene glycol 32.49
    isopropyl acetate 2.49
    DMAc 158.92
    2-ethoxyethanol 25.42
    isopentanol 4.41
    n-heptane 0.18
    ethyl formate 17.61
    1,2-dichloroethane 19.2
    n-hexanol 2.19
    2-methoxyethanol 55.33
    isobutyl acetate 2.27
    tetrachloromethane 3.51
    n-pentyl acetate 4.07
    transcutol 18.73
    n-heptanol 2.34
    ethylbenzene 0.7
    MIBK 3.02
    2-propoxyethanol 16.89
    tert-butanol 3.0
    MTBE 1.2
    2-butoxyethanol 12.22
    propionic acid 48.77
    o-xylene 1.3
    formic acid 219.1
    diethyl ether 2.04
    m-xylene 0.98
    p-xylene 1.29
    chlorobenzene 4.21
    dimethyl carbonate 14.24
    n-octane 0.09
    formamide 191.58
    cyclopentanone 52.36
    2-pentanone 9.13
    anisole 1.75
    cyclopentyl methyl ether 4.15
    gamma-butyrolactone 98.61
    1-methoxy-2-propanol 23.1
    pyridine 21.9
    3-pentanone 9.9
    furfural 90.9
    n-dodecane 0.05
    diethylene glycol 26.21
    diisopropyl ether 0.34
    tert-amyl alcohol 5.11
    acetylacetone 11.2
    n-hexadecane 0.06
    acetophenone 6.65
    methyl propionate 15.66
    isopentyl acetate 2.72
    trichloroethylene 63.0
    n-nonanol 1.33
    cyclohexanol 5.16
    benzyl alcohol 6.9
    2-ethylhexanol 1.26
    isooctanol 1.58
    dipropyl ether 1.59
    1,2-dichlorobenzene 4.81
    ethyl lactate 10.19
    propylene carbonate 33.75
    n-methylformamide 94.68
    2-pentanol 2.92
    n-pentane 0.21
    1-propoxy-2-propanol 9.22
    1-methoxy-2-propyl acetate 6.01
    2-(2-methoxypropoxy) propanol 10.41
    mesitylene 0.43
    ε-caprolactone 29.0
    p-cymene 0.63
    epichlorohydrin 59.11
    1,1,1-trichloroethane 9.17
    2-aminoethanol 34.94
    morpholine-4-carbaldehyde 68.87
    sulfolane 160.14
    2,2,4-trimethylpentane 0.11
    2-methyltetrahydrofuran 8.59
    n-hexyl acetate 3.11
    isooctane 0.03
    2-(2-butoxyethoxy)ethanol 11.18
    sec-butyl acetate 2.1
    tert-butyl acetate 1.75
    decalin 0.09
    glycerin 74.91
    diglyme 16.81
    acrylic acid 80.12
    isopropyl myristate 0.81
    n-butyric acid 25.7
    acetyl acetate 5.45
    di(2-ethylhexyl) phthalate 3.28
    ethyl propionate 4.55
    nitromethane 158.96
    1,2-diethoxyethane 2.82
    benzonitrile 7.84
    trioctyl phosphate 1.98
    1-bromopropane 5.25
    gamma-valerolactone 89.85
    n-decanol 0.92
    triethyl phosphate 3.69
    4-methyl-2-pentanol 1.03
    propionitrile 10.23
    vinylene carbonate 38.57
    1,1,2-trichlorotrifluoroethane 111.26
    DMS 5.76
    cumene 0.46
    2-octanol 1.22
    2-hexanone 5.86
    octyl acetate 1.73
    limonene 0.83
    1,2-dimethoxyethane 14.82
    ethyl orthosilicate 2.67
    tributyl phosphate 2.38
    diacetone alcohol 7.64
    N,N-dimethylaniline 1.66
    acrylonitrile 24.36
    aniline 5.64
    1,3-propanediol 28.6
    bromobenzene 3.37
    dibromomethane 21.41
    1,1,2,2-tetrachloroethane 38.46
    2-methyl-cyclohexyl acetate 3.05
    tetrabutyl urea 4.32
    diisobutyl methanol 0.5
    2-phenylethanol 3.77
    styrene 0.84
    dioctyl adipate 2.49
    dimethyl sulfate 48.55
    ethyl butyrate 3.71
    methyl lactate 28.78
    butyl lactate 8.77
    diethyl carbonate 3.33
    propanediol butyl ether 12.75
    triethyl orthoformate 3.2
    p-tert-butyltoluene 0.46
    methyl 4-tert-butylbenzoate 6.04
    morpholine 12.07
    tert-butylamine 0.97
    n-dodecanol 0.62
    dimethoxymethane 19.13
    ethylene carbonate 22.11
    cyrene 32.16
    2-ethoxyethyl acetate 7.3
    2-ethylhexyl acetate 2.44
    1,2,4-trichlorobenzene 8.65
    4-methylpyridine 13.89
    dibutyl ether 0.78
    2,6-dimethyl-4-heptanol 0.5
    DEF 19.14
    dimethyl isosorbide 15.23
    tetrachloroethylene 22.52
    eugenol 8.75
    triacetin 7.64
    span 80 8.01
    1,4-butanediol 14.88
    1,1-dichloroethane 11.45
    2-methyl-1-pentanol 3.79
    methyl formate 67.94
    2-methyl-1-butanol 7.02
    n-decane 0.1
    butyronitrile 6.68
    3,7-dimethyl-1-octanol 0.91
    1-chlorooctane 0.48
    1-chlorotetradecane 0.19
    n-nonane 0.09
    undecane 0.07
    tert-butylcyclohexane 0.06
    cyclooctane 0.08
    cyclopentanol 11.05
    tetrahydropyran 3.84
    tert-amyl methyl ether 1.95
    2,5,8-trioxanonane 12.78
    1-hexene 0.62
    2-isopropoxyethanol 10.09
    2,2,2-trifluoroethanol 81.22
    methyl butyrate 7.78

    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