ChemSpider 2D Image | Pantoprazole N-oxide | C16H15F2N3O5S

Pantoprazole N-oxide

  • Molecular FormulaC16H15F2N3O5S
  • Average mass399.369 Da
  • Monoisotopic mass399.070038 Da
  • ChemSpider ID21896862

More details:

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

1H-Benzimidazole, 5-(difluoromethoxy)-2-[[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl]- [ACD/Index Name]
5-(Difluormethoxy)-2-{[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazol [German] [ACD/IUPAC Name]
5-(Difluoromethoxy)-2-{[(3,4-dimethoxy-1-oxido-2-pyridinyl)methyl]sulfinyl}-1H-benzimidazole [ACD/IUPAC Name]
5-(Difluorométhoxy)-2-{[(3,4-diméthoxy-1-oxydo-2-pyridinyl)méthyl]sulfinyl}-1H-benzimidazole [French] [ACD/IUPAC Name]
953787-60-5 [RN]
Pantoprazole N-oxide
2-(((6-(difluoromethoxy)-1h-benzo[d]imidazol-2-yl)sulfinyl)methyl)-3,4-dimethoxypyridine 1-oxide
2-(((6-(Difluoromethoxy)-1H-benzo[d]imidazol-2-yl)sulfinyl)methyl)-3,4-dimethoxypyridine1-oxide
2-({[5-(difluoromethoxy)-1H-1,3-benzodiazol-2-yl]sulfinyl}methyl)-3,4-dimethoxypyridin-1-ium-1-olate
2-{[5-(difluoromethoxy)-1H-1,3-benzodiazol-2-ylsulfinyl]methyl}-3,4-dimethoxypyridin-1-ium-1-olate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 690.9±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.3±3.0 kJ/mol
    Flash Point: 371.7±34.3 °C
    Index of Refraction: 1.641
    Molar Refractivity: 91.9±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: -0.81
    ACD/LogD (pH 5.5): 0.68
    ACD/BCF (pH 5.5): 1.93
    ACD/KOC (pH 5.5): 55.63
    ACD/LogD (pH 7.4): 0.63
    ACD/BCF (pH 7.4): 1.73
    ACD/KOC (pH 7.4): 50.04
    Polar Surface Area: 118 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 55.6±7.0 dyne/cm
    Molar Volume: 254.7±7.0 cm3

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