ChemSpider 2D Image | (3alpha,5beta,13alpha,14alpha,16beta)-16-Acetoxy-3,14-dihydroxycard-20(22)-enolide | C25H36O6

(3α,5β,13α,14α,16β)-16-Acetoxy-3,14-dihydroxycard-20(22)-enolide

  • Molecular FormulaC25H36O6
  • Average mass432.550 Da
  • Monoisotopic mass432.251190 Da
  • ChemSpider ID62324980

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3α,5β,13α,14α,16β)-16-Acetoxy-3,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,5β,13α,14α,16β)-16-Acetoxy-3,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3α,5β,13α,14α,16β)-16-Acétoxy-3,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
(3β,5α,8α,10α,13α,14α,16β)-16-Acetoxy-3,14-dihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5α,8α,10α,13α,14α,16β)-16-Acetoxy-3,14-dihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5α,8α,10α,13α,14α,16β)-16-Acétoxy-3,14-dihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 16-(acetyloxy)-3,14-dihydroxy-, (3α,5β,13α,14α,16β)- [ACD/Index Name]
Card-20(22)-enolide, 16-(acetyloxy)-3,14-dihydroxy-, (3β,5α,8α,10α,13α,14α,16β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 584.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.3±6.0 kJ/mol
Flash Point: 194.9±23.6 °C
Index of Refraction: 1.579
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.87
ACD/KOC (pH 5.5): 386.34
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.87
ACD/KOC (pH 7.4): 386.34
Polar Surface Area: 93 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 343.1±5.0 cm3

Click to predict properties on the Chemicalize site


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