ChemSpider 2D Image | 5-({[(3aS,4S,6aR)-2,2-Dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methyl}sulfonyl)-1-phenyl-1H-tetrazole | C16H20N4O4S

5-({[(3aS,4S,6aR)-2,2-Dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methyl}sulfonyl)-1-phenyl-1H-tetrazole

  • Molecular FormulaC16H20N4O4S
  • Average mass364.419 Da
  • Monoisotopic mass364.120514 Da
  • ChemSpider ID30658869

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Tetrazole, 1-phenyl-5-[[[(3aS,4S,6aR)-tetrahydro-2,2-dimethyl-4H-cyclopenta[d]-1,3-dioxol-4-yl]methyl]sulfonyl]- [ACD/Index Name]
5-({[(3aS,4S,6aR)-2,2-Dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methyl}sulfonyl)-1-phenyl-1H-tetrazol [German] [ACD/IUPAC Name]
5-({[(3aS,4S,6aR)-2,2-Dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methyl}sulfonyl)-1-phenyl-1H-tetrazole [ACD/IUPAC Name]
5-({[(3aS,4S,6aR)-2,2-Diméthyltétrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]méthyl}sulfonyl)-1-phényl-1H-tétrazole [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 546.8±46.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±3.0 kJ/mol
Flash Point: 284.5±29.0 °C
Index of Refraction: 1.699
Molar Refractivity: 91.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.71
ACD/BCF (pH 5.5): 11.76
ACD/KOC (pH 5.5): 203.20
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.76
ACD/KOC (pH 7.4): 203.20
Polar Surface Area: 105 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 237.9±7.0 cm3

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