ChemSpider 2D Image | 3-({2-[(3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.0~1,8~]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)-8-methyl-8-azoniabicyclo[3.2.1]octane | C30H48NO4S

3-({2-[(3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)-8-methyl-8-azoniabicyclo[3.2.1]octane

  • Molecular FormulaC30H48NO4S
  • Average mass518.771 Da
  • Monoisotopic mass518.329834 Da
  • ChemSpider ID21240127

  • Charge - Charge

More details:

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

3-({2-[(3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)-8-methyl-8-azoniabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
3-({2-[(3-Hydroxy-2,4,7,14-tetramethyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tetradec-6-yl)oxy]-2-oxoethyl}sulfanyl)-8-methyl-8-azoniabicyclo[3.2.1]octane [ACD/IUPAC Name]
3-({2-[(3-Hydroxy-2,4,7,14-tétraméthyl-9-oxo-4-vinyltricyclo[5.4.3.01,8]tétradéc-6-yl)oxy]-2-oxoéthyl}sulfanyl)-8-méthyl-8-azoniabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
Acetic acid, 2-[(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)thio]-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, conjugate acid [ACD/Index Name]

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

Density:
Boiling Point: 594.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.7±6.0 kJ/mol
Flash Point: 313.6±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 5.25
ACD/KOC (pH 5.5): 15.04
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 9.22
ACD/KOC (pH 7.4): 26.40
Polar Surface Area: 93 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement