ChemSpider 2D Image | (3alpha,5beta,10alpha,13alpha)-3-Acetoxy-14-hydroxycard-20(22)-enolide | C25H36O5

(3α,5β,10α,13α)-3-Acetoxy-14-hydroxycard-20(22)-enolide

  • Molecular FormulaC25H36O5
  • Average mass416.550 Da
  • Monoisotopic mass416.256287 Da
  • ChemSpider ID62455600

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,5β,10α,13α)-3-Acetoxy-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,5β,10α,13α)-3-Acetoxy-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3α,5β,10α,13α)-3-Acétoxy-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
(3β,5β,9β,13α,14α)-3-Acetoxy-14-hydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,9β,13α,14α)-3-Acetoxy-14-hydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,9β,13α,14α)-3-Acétoxy-14-hydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-(acetyloxy)-14-hydroxy-, (3α,5β,10α,13α)- [ACD/Index Name]
Card-20(22)-enolide, 3-(acetyloxy)-14-hydroxy-, (3β,5β,9β,13α,14α)- [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: 553.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 95.9±6.0 kJ/mol
Flash Point: 183.6±23.6 °C
Index of Refraction: 1.565
Molar Refractivity: 112.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.69
ACD/LogD (pH 5.5): 3.59
ACD/BCF (pH 5.5): 316.71
ACD/KOC (pH 5.5): 2145.74
ACD/LogD (pH 7.4): 3.59
ACD/BCF (pH 7.4): 316.71
ACD/KOC (pH 7.4): 2145.74
Polar Surface Area: 73 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 49.3±5.0 dyne/cm
Molar Volume: 345.2±5.0 cm3

Click to predict properties on the Chemicalize site


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