ChemSpider 2D Image | PROBENECID-D14 | C13H5D14NO4S

PROBENECID-D14

  • Molecular FormulaC13H5D14NO4S
  • Average mass299.445 Da
  • Monoisotopic mass299.191345 Da
  • ChemSpider ID48063472

  • Non-standard isotope - Non-standard isotope

More details:

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

1189657-87-1 [RN]
4-{Bis[(2H7)propyl]sulfamoyl}benzoesäure [German] [ACD/IUPAC Name]
4-{Bis[(2H7)propyl]sulfamoyl}benzoic acid [ACD/IUPAC Name]
Acide 4-{bis[(2H7)propyl]sulfamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(dipropyl-d7-amino)sulfonyl]- [ACD/Index Name]
PROBENECID-D14
4-[bis(1,1,2,2,3,3,3-heptadeuteriopropyl)sulfamoyl]benzoic acid
Probenecid-d14 (di-n-propyl-d14)

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 438.0±47.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.2±3.0 kJ/mol
    Flash Point: 218.7±29.3 °C
    Index of Refraction: 1.542
    Molar Refractivity: 73.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.30
    ACD/LogD (pH 5.5): 1.25
    ACD/BCF (pH 5.5): 1.95
    ACD/KOC (pH 5.5): 17.32
    ACD/LogD (pH 7.4): 0.01
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 83 Å2
    Polarizability: 29.1±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 233.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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