ChemSpider 2D Image | BUMETANIDE-D5 | C17H15D5N2O5S

BUMETANIDE-D5

  • Molecular FormulaC17H15D5N2O5S
  • Average mass369.447 Da
  • Monoisotopic mass369.140686 Da
  • ChemSpider ID48058486

  • Non-standard isotope - Non-standard isotope

More details:

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

1216739-35-3 [RN]
3-(Butylamino)-4-[(2H5)phenyloxy]-5-sulfamoylbenzoesäure [German] [ACD/IUPAC Name]
3-(Butylamino)-4-[(2H5)phenyloxy]-5-sulfamoylbenzoic acid [ACD/IUPAC Name]
Acide 3-(butylamino)-4-[(2H5)phényloxy]-5-sulfamoylbenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-(aminosulfonyl)-5-(butylamino)-4-(phenyl-d5-oxy)- [ACD/Index Name]
BUMETANIDE-D5
3-(butylamino)-4-(2,3,4,5,6-pentadeuteriophenoxy)-5-sulfamoylbenzoic acid
Bumetanide D5

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 571.2±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.1±3.0 kJ/mol
    Flash Point: 299.3±32.9 °C
    Index of Refraction: 1.612
    Molar Refractivity: 94.1±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.78
    ACD/LogD (pH 5.5): 1.44
    ACD/BCF (pH 5.5): 3.09
    ACD/KOC (pH 5.5): 28.09
    ACD/LogD (pH 7.4): 0.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.10
    Polar Surface Area: 127 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 60.0±3.0 dyne/cm
    Molar Volume: 270.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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