ChemSpider 2D Image | (3beta,5beta)-14-Hydroxy-3-[(8-methoxy-8-oxooctanoyl)oxy]card-20(22)-enolide | C32H48O7

(3β,5β)-14-Hydroxy-3-[(8-methoxy-8-oxooctanoyl)oxy]card-20(22)-enolide

  • Molecular FormulaC32H48O7
  • Average mass544.719 Da
  • Monoisotopic mass544.340027 Da
  • ChemSpider ID17227667

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,5β)-14-Hydroxy-3-[(8-methoxy-8-oxooctanoyl)oxy]card-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β)-14-Hydroxy-3-[(8-methoxy-8-oxooctanoyl)oxy]card-20(22)-enolide [ACD/IUPAC Name]
(3β,5β)-14-Hydroxy-3-[(8-méthoxy-8-oxooctanoyl)oxy]card-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 14-hydroxy-3-[(8-methoxy-1,8-dioxooctyl)oxy]-, (3β,5β)- [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: 658.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±6.0 kJ/mol
Flash Point: 204.7±25.0 °C
Index of Refraction: 1.550
Molar Refractivity: 146.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5058.55
ACD/KOC (pH 5.5): 15593.16
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5058.55
ACD/KOC (pH 7.4): 15593.16
Polar Surface Area: 99 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 460.6±5.0 cm3

Click to predict properties on the Chemicalize site


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