ChemSpider 2D Image | OMEPRAZOLE-D3 | C17H16D3N3O3S

OMEPRAZOLE-D3

  • Molecular FormulaC17H16D3N3O3S
  • Average mass348.435 Da
  • Monoisotopic mass348.133545 Da
  • ChemSpider ID24533419
  • Non-standard isotope - Non-standard isotope


More details:






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

1H-Benzimidazole-4,6,7-d3, 5-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]- [ACD/Index Name]
5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}(4,6,7-2H3)-1H-benzimidazol [German] [ACD/IUPAC Name]
5-Methoxy-2-{[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl}(4,6,7-2H3)-1H-benzimidazole [ACD/IUPAC Name]
5-Méthoxy-2-{[(4-méthoxy-3,5-diméthyl-2-pyridinyl)méthyl]sulfinyl}(4,6,7-2H3)-1H-benzimidazole [French] [ACD/IUPAC Name]
5-Methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}(4,6,7-2H3)-1H-benzimidazole
934293-92-2 [RN]
OMEPRAZOLE-D3
5-Methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole
6-methoxy-2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]sulfinyl]-1H-benzimidazole-4,5,7-d3
Omeprazole-d3 (benzimidazole-4,6,7-d3)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 600.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.7±32.9 °C
Index of Refraction: 1.669
Molar Refractivity: 94.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 19.74
ACD/KOC (pH 5.5): 282.21
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.48
ACD/KOC (pH 7.4): 321.33
Polar Surface Area: 96 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 75.2±5.0 dyne/cm
Molar Volume: 251.9±5.0 cm3

Click to predict properties on the Chemicalize site






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