dUMP

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  • Identifiers

    CAS number
    964-26-1

    Molecular formula
    C9H13N2O8P

    SMILES
    C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Odorless 86.03%
    Savory 18.12%
    Bitter 17.69%
    Cooked 16.39%
    Nutty 14.47%
    Milky 14.32%
    Roasted 14.08%
    Meaty 13.53%
    Clean 13.44%
    Burnt 13.19%

     

    Flavor
    Odorless 57.0%
    Bitter 49.25%
    Very mild 28.47%
    Mild 27.95%
    Bland 26.91%
    Sweet-like 22.1%
    Yeast 21.46%
    Sour 21.41%
    Urine 19.93%
    Formyl 19.9%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -3.3

    pKa est.
    7.83 (neutral)

    Molecular weight
    308.18 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    1562°C

    Flash point

    • 297.77 ˚C est.

  • Synonyms

    • dUMP
    • Deoxyuridine monophosphate
    • 2'-deoxy-5'-uridylic acid
    • 2'-deoxyuridylic acid
    • Deoxyuridylic acid
    • 964-26-1
    • Deoxy-UMP
    • 2'-Deoxyuridylate
    • Deoxyuridine 5'-phosphate
    • 2'-Deoxyuridine 5'-phosphate
    • deoxyuridylate
    • Deoxyuridine 5'-monophosphate
    • 5'-Uridylic acid, 2'-deoxy-
    • 2'-DEOXYURIDINE-5'-MONOPHOSPHATE
    • Uridine, 2'-deoxy-, 5'-(dihydrogen phosphate)
    • N9J10KFG94
    • DTXSID20242223
    • CHEBI:17622
    • [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
    • {[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid
    • ((2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methyl dihydrogen phosphate
    • (((2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl)methoxy)phosphonic acid
    • RefChem:585754
    • DTXCID20164714
    • 213-518-9
    • 2'-Deoxyuridine 5'-monophosphate
    • Uridine, 2'-deoxy-, 5'-phosphate
    • CHEMBL211312
    • 2'-Deoxyuridine-5'-monophosphate free acid
    • EINECS 213-518-9
    • BRN 0042143
    • 1jmf
    • 1jmg
    • 1jmi
    • 1njb
    • 1njd
    • 1tsv
    • 1tsy
    • 1bp0
    • 42155-08-8
    • 2'-Deoxy-5'-uridylate
    • SCHEMBL8200
    • UNII-N9J10KFG94
    • 2''-Deoxyuridinemonophosphate
    • 2'-DEOXY-5'-UMP
    • 2'-deoxyuridine-5'-phosphate
    • 2''-deoxy-5''-uridylic acid
    • 2'- Deoxy-5'- uridylic acid
    • BDBM50028108
    • BDBM50186267
    • MSK169837
    • DB03800
    • ND153405
    • NS00015087
    • C00365
    • Q2741362
    • 2,4(1H,3H)-pyrimidinedione, 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-
    • 1-{(4S,2R,5R)-4-Hydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl}-1,3-dihydropyrimidine-2,4-dione
    • Phosphoric acid mono-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
    • 964-26-1

  • Applications

    dUMP (CAS 964-26-1), deoxyuridine monophosphate, is widely used as a biochemical intermediate and substrate in thymidylate biosynthesis research and in enzymatic assays involving thymidylate synthase and related enzymes. It also serves as a building block/precursor for nucleotide chemistry and oligonucleotide synthesis. In analytical settings, it is used as an analytical reference standard for nucleotide quantification in HPLC/LC-MS in pharmaceutical and biotech labs. It is used in educational and research settings to study DNA precursor metabolism and salvage pathways. Finally, it may be used as a starting material for the synthesis of other deoxynucleotides or nucleotide-derived compounds in early-stage pharmaceutical research.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 0.25
    methanol 1.03
    isopropanol 0.25
    water 41.89
    ethyl acetate 0.1
    n-propanol 0.28
    acetone 0.31
    n-butanol 0.28
    acetonitrile 0.33
    DMF 18.82
    toluene 0.06
    isobutanol 0.18
    1,4-dioxane 0.51
    methyl acetate 0.15
    THF 0.95
    2-butanone 0.25
    n-pentanol 0.18
    sec-butanol 0.25
    n-hexane 0.04
    ethylene glycol 3.73
    NMP 31.45
    cyclohexane 0.07
    DMSO 29.03
    n-butyl acetate 0.22
    n-octanol 0.15
    chloroform 0.04
    n-propyl acetate 0.15
    acetic acid 1.4
    dichloromethane 0.06
    cyclohexanone 0.8
    propylene glycol 2.5
    isopropyl acetate 0.11
    DMAc 17.2
    2-ethoxyethanol 2.51
    isopentanol 0.24
    n-heptane 0.1
    ethyl formate 0.24
    1,2-dichloroethane 0.07
    n-hexanol 0.26
    2-methoxyethanol 6.36
    isobutyl acetate 0.07
    tetrachloromethane 0.03
    n-pentyl acetate 0.14
    transcutol 2.11
    n-heptanol 0.29
    ethylbenzene 0.05
    MIBK 0.21
    2-propoxyethanol 2.97
    tert-butanol 0.34
    MTBE 0.07
    2-butoxyethanol 1.62
    propionic acid 0.57
    o-xylene 0.11
    formic acid 14.5
    diethyl ether 0.14
    m-xylene 0.07
    p-xylene 0.08
    chlorobenzene 0.02
    dimethyl carbonate 0.7
    n-octane 0.04
    formamide 20.0
    cyclopentanone 1.31
    2-pentanone 0.25
    anisole 0.11
    cyclopentyl methyl ether 0.59
    gamma-butyrolactone 1.71
    1-methoxy-2-propanol 4.19
    pyridine 0.42
    3-pentanone 0.3
    furfural 2.66
    n-dodecane 0.02
    diethylene glycol 7.6
    diisopropyl ether 0.07
    tert-amyl alcohol 0.32
    acetylacetone 0.47
    n-hexadecane 0.02
    acetophenone 0.28
    methyl propionate 0.34
    isopentyl acetate 0.18
    trichloroethylene 0.07
    n-nonanol 0.17
    cyclohexanol 0.44
    benzyl alcohol 0.24
    2-ethylhexanol 0.2
    isooctanol 0.2
    dipropyl ether 0.53
    1,2-dichlorobenzene 0.03
    ethyl lactate 0.92
    propylene carbonate 0.61
    n-methylformamide 4.98
    2-pentanol 0.2
    n-pentane 0.03
    1-propoxy-2-propanol 1.99
    1-methoxy-2-propyl acetate 0.56
    2-(2-methoxypropoxy) propanol 1.47
    mesitylene 0.08
    ε-caprolactone 0.71
    p-cymene 0.1
    epichlorohydrin 0.48
    1,1,1-trichloroethane 0.02
    2-aminoethanol 2.76
    morpholine-4-carbaldehyde 11.16
    sulfolane 10.39
    2,2,4-trimethylpentane 0.01
    2-methyltetrahydrofuran 0.35
    n-hexyl acetate 0.13
    isooctane 0.01
    2-(2-butoxyethoxy)ethanol 1.76
    sec-butyl acetate 0.09
    tert-butyl acetate 0.16
    decalin 0.02
    glycerin 18.27
    diglyme 3.36
    acrylic acid 1.25
    isopropyl myristate 0.07
    n-butyric acid 0.45
    acetyl acetate 0.11
    di(2-ethylhexyl) phthalate 0.16
    ethyl propionate 0.19
    nitromethane 2.96
    1,2-diethoxyethane 0.29
    benzonitrile 0.16
    trioctyl phosphate 0.15
    1-bromopropane 0.04
    gamma-valerolactone 3.63
    n-decanol 0.14
    triethyl phosphate 0.39
    4-methyl-2-pentanol 0.14
    propionitrile 0.22
    vinylene carbonate 0.57
    1,1,2-trichlorotrifluoroethane 3.01
    DMS 0.2
    cumene 0.05
    2-octanol 0.15
    2-hexanone 0.2
    octyl acetate 0.1
    limonene 0.12
    1,2-dimethoxyethane 2.37
    ethyl orthosilicate 0.34
    tributyl phosphate 0.17
    diacetone alcohol 1.01
    N,N-dimethylaniline 0.27
    acrylonitrile 0.44
    aniline 0.21
    1,3-propanediol 2.07
    bromobenzene 0.02
    dibromomethane 0.04
    1,1,2,2-tetrachloroethane 0.11
    2-methyl-cyclohexyl acetate 0.25
    tetrabutyl urea 0.53
    diisobutyl methanol 0.16
    2-phenylethanol 0.28
    styrene 0.04
    dioctyl adipate 0.13
    dimethyl sulfate 2.89
    ethyl butyrate 0.3
    methyl lactate 2.6
    butyl lactate 0.68
    diethyl carbonate 0.22
    propanediol butyl ether 1.62
    triethyl orthoformate 0.46
    p-tert-butyltoluene 0.08
    methyl 4-tert-butylbenzoate 0.65
    morpholine 1.06
    tert-butylamine 0.14
    n-dodecanol 0.11
    dimethoxymethane 2.86
    ethylene carbonate 0.4
    cyrene 3.94
    2-ethoxyethyl acetate 0.19
    2-ethylhexyl acetate 0.16
    1,2,4-trichlorobenzene 0.05
    4-methylpyridine 0.28
    dibutyl ether 0.16
    2,6-dimethyl-4-heptanol 0.16
    DEF 1.61
    dimethyl isosorbide 2.85
    tetrachloroethylene 0.1
    eugenol 1.12
    triacetin 0.28
    span 80 0.86
    1,4-butanediol 1.08
    1,1-dichloroethane 0.02
    2-methyl-1-pentanol 0.13
    methyl formate 2.23
    2-methyl-1-butanol 0.24
    n-decane 0.04
    butyronitrile 0.17
    3,7-dimethyl-1-octanol 0.11
    1-chlorooctane 0.05
    1-chlorotetradecane 0.02
    n-nonane 0.04
    undecane 0.03
    tert-butylcyclohexane 0.01
    cyclooctane 0.04
    cyclopentanol 0.68
    tetrahydropyran 0.27
    tert-amyl methyl ether 0.16
    2,5,8-trioxanonane 2.87
    1-hexene 0.05
    2-isopropoxyethanol 0.95
    2,2,2-trifluoroethanol 2.29
    methyl butyrate 0.3

    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