ChemSpider 2D Image | Trimethoprim-d3 | C14H15D3N4O3

Trimethoprim-d3

  • Molecular FormulaC14H15D3N4O3
  • Average mass293.336 Da
  • Monoisotopic mass293.156708 Da
  • ChemSpider ID24533790

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1189923-38-3 [RN]
2,4-Pyrimidinediamine, 5-[[3,5-dimethoxy-4-(methyl-d3-oxy)phenyl]methyl]- [ACD/Index Name]
5-{3,5-Dimethoxy-4-[(2H3)methyloxy]benzyl}-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-{3,5-Dimethoxy-4-[(2H3)methyloxy]benzyl}-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-{3,5-Diméthoxy-4-[(2H3)méthyloxy]benzyl}-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
5-{3,5-Dimethoxy-4-[(2H3)methyloxy]benzyl}pyrimidine-2,4-diamine
Trimethoprim-d3
2,4-diamino-5-(3,4,5-trimethoxybenzyl)pyrimidine
5-({3,5-Dimethoxy-4-[(2H3)methyloxy]phenyl}methyl)pyrimidine-2,4-diamine
5-[[3,5-dimethoxy-4-(trideuteriomethoxy)phenyl]methyl]pyrimidine-2,4-diamine
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 526.0±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 80.0±3.0 kJ/mol
    Flash Point: 271.9±32.9 °C
    Index of Refraction: 1.609
    Molar Refractivity: 80.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.79
    ACD/LogD (pH 5.5): -0.28
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.89
    ACD/LogD (pH 7.4): 1.00
    ACD/BCF (pH 7.4): 3.14
    ACD/KOC (pH 7.4): 72.87
    Polar Surface Area: 106 Å2
    Polarizability: 31.8±0.5 10-24cm3
    Surface Tension: 53.9±3.0 dyne/cm
    Molar Volume: 231.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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