ChemSpider 2D Image | Pantoprazole-d6 | C16H9D6F2N3O4S

Pantoprazole-d6

  • Molecular FormulaC16H9D6F2N3O4S
  • Average mass389.407 Da
  • Monoisotopic mass389.112793 Da
  • ChemSpider ID57558883

  • Non-standard isotope - Non-standard isotope

More details:

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

1H-Benzimidazole, 2-[[[3,4-bis(methyl-d3-oxy)-2-pyridinyl]methyl]sulfinyl]-6-(difluoromethoxy)- [ACD/Index Name]
2-[({3,4-Bis[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-6-(difluormethoxy)-1H-benzimidazol [German] [ACD/IUPAC Name]
2-[({3,4-Bis[(2H3)methyloxy]-2-pyridinyl}methyl)sulfinyl]-6-(difluoromethoxy)-1H-benzimidazole [ACD/IUPAC Name]
2-[({3,4-Bis[(2H3)méthyloxy]-2-pyridinyl}méthyl)sulfinyl]-6-(difluorométhoxy)-1H-benzimidazole [French] [ACD/IUPAC Name]
922727-65-9 [RN]
Pantoprazole-d6
2-({3,4-Bis[(2H3)methyloxy]pyridin-2-yl}methanesulfinyl)-6-(difluoromethoxy)-1H-benzimidazole

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

Density: 1.5±0.1 g/cm3
Boiling Point: 586.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.7±32.9 °C
Index of Refraction: 1.643
Molar Refractivity: 91.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.48
ACD/KOC (pH 5.5): 146.71
ACD/LogD (pH 7.4): 1.43
ACD/BCF (pH 7.4): 7.08
ACD/KOC (pH 7.4): 138.70
Polar Surface Area: 106 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 73.5±5.0 dyne/cm
Molar Volume: 252.7±5.0 cm3

Click to predict properties on the Chemicalize site


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