ChemSpider 2D Image | [(2R,6R,8S,10S)-10-[(4-Methoxybenzyl)oxy]-8-{2-[(4-methoxybenzyl)oxy]ethyl}-4-oxo-1,7-dioxaspiro[5.5]undec-2-yl]methyl pivalate | C33H44O9

[(2R,6R,8S,10S)-10-[(4-Methoxybenzyl)oxy]-8-{2-[(4-methoxybenzyl)oxy]ethyl}-4-oxo-1,7-dioxaspiro[5.5]undec-2-yl]methyl pivalate

  • Molecular FormulaC33H44O9
  • Average mass584.697 Da
  • Monoisotopic mass584.298523 Da
  • ChemSpider ID26568084

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(2R,6R,8S,10S)-10-[(4-Methoxybenzyl)oxy]-8-{2-[(4-methoxybenzyl)oxy]ethyl}-4-oxo-1,7-dioxaspiro[5.5]undec-2-yl]methyl pivalate [ACD/IUPAC Name]
[(2R,6R,8S,10S)-10-[(4-Methoxybenzyl)oxy]-8-{2-[(4-methoxybenzyl)oxy]ethyl}-4-oxo-1,7-dioxaspiro[5.5]undec-2-yl]methylpivalat [German] [ACD/IUPAC Name]
Pivalate de [(2R,6R,8S,10S)-10-[(4-méthoxybenzyl)oxy]-8-{2-[(4-méthoxybenzyl)oxy]éthyl}-4-oxo-1,7-dioxaspiro[5.5]undéc-2-yl]méthyle [French] [ACD/IUPAC Name]
Propanoic acid, 2,2-dimethyl-, [(2R,6R,8S,10S)-10-[(4-methoxyphenyl)methoxy]-8-[2-[(4-methoxyphenyl)methoxy]ethyl]-4-oxo-1,7-dioxaspiro[5.5]undec-2-yl]methyl ester [ACD/Index 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: 673.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 278.0±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 157.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 5.24
ACD/BCF (pH 5.5): 5653.96
ACD/KOC (pH 5.5): 16885.98
ACD/LogD (pH 7.4): 5.24
ACD/BCF (pH 7.4): 5653.96
ACD/KOC (pH 7.4): 16885.98
Polar Surface Area: 99 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 48.6±5.0 dyne/cm
Molar Volume: 490.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement