ChemSpider 2D Image | 4-SULFONYLOXY DEXLANSOPRAZOLE | C16H14F3N3O6S2

4-SULFONYLOXY DEXLANSOPRAZOLE

  • Molecular FormulaC16H14F3N3O6S2
  • Average mass465.424 Da
  • Monoisotopic mass465.027618 Da
  • ChemSpider ID52083748

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

{[3-Methyl-4-(2,2,2-trifluorethoxy)-2-pyridinyl]methyl}[4-(sulfooxy)-1H-benzimidazol-2-yl]sulfoniumolat [German] [ACD/IUPAC Name]
{[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl}[4-(sulfooxy)-1H-benzimidazol-2-yl]sulfoniumolate [ACD/IUPAC Name]
{[3-Méthyl-4-(2,2,2-trifluoroéthoxy)-2-pyridinyl]méthyl}[4-(sulfooxy)-1H-benzimidazol-2-yl]sulfoniumolate [French] [ACD/IUPAC Name]
1421610-14-1 [RN]
4-SULFONYLOXY DEXLANSOPRAZOLE
Sulfonium, hydroxy[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl][4-(sulfooxy)-1H-benzimidazol-2-yl]-, inner salt [ACD/Index Name]

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

RL0K4IX9RF [DBID]
UNII:RL0K4IX9RF [DBID]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.671
Molar Refractivity: 100.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 146 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 89.6±5.0 dyne/cm
Molar Volume: 267.8±5.0 cm3

Click to predict properties on the Chemicalize site


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