ChemSpider 2D Image | Methyl 4-bromo-3-[(2S,3R)-2-hydroxy-3-(methoxymethyl)-6,7-dimethyl-3-{[2-(trimethylsilyl)ethoxy]carbonyl}-6-octen-1-yl]benzoate | C26H41BrO6Si

Methyl 4-bromo-3-[(2S,3R)-2-hydroxy-3-(methoxymethyl)-6,7-dimethyl-3-{[2-(trimethylsilyl)ethoxy]carbonyl}-6-octen-1-yl]benzoate

  • Molecular FormulaC26H41BrO6Si
  • Average mass557.590 Da
  • Monoisotopic mass556.185547 Da
  • ChemSpider ID9332307

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Bromo-3-[(2S,3R)-2-hydroxy-3-(méthoxyméthyl)-6,7-diméthyl-3-{[2-(triméthylsilyl)éthoxy]carbonyl}-6-octén-1-yl]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 2-bromo-α-(3,4-dimethyl-3-penten-1-yl)-β-hydroxy-5-(methoxycarbonyl)-α-(methoxymethyl)-, 2-(trimethylsilyl)ethyl ester, (αR,βS)- [ACD/Index Name]
Methyl 4-bromo-3-[(2S,3R)-2-hydroxy-3-(methoxymethyl)-6,7-dimethyl-3-{[2-(trimethylsilyl)ethoxy]carbonyl}-6-octen-1-yl]benzoate [ACD/IUPAC Name]
Methyl-4-brom-3-[(2S,3R)-2-hydroxy-3-(methoxymethyl)-6,7-dimethyl-3-{[2-(trimethylsilyl)ethoxy]carbonyl}-6-octen-1-yl]benzoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 586.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.1±3.0 kJ/mol
Flash Point: 308.2±30.1 °C
Index of Refraction: 1.511
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 7.48
ACD/BCF (pH 5.5): 286698.94
ACD/KOC (pH 5.5): 280543.03
ACD/LogD (pH 7.4): 7.48
ACD/BCF (pH 7.4): 286698.63
ACD/KOC (pH 7.4): 280542.72
Polar Surface Area: 82 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 35.9±3.0 dyne/cm
Molar Volume: 477.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement