ChemSpider 2D Image | (3beta,5beta,14xi)-3,5,14,19-Tetrahydroxycard-20(22)-enolide | C23H34O6

(3β,5β,14ξ)-3,5,14,19-Tetrahydroxycard-20(22)-enolide

  • Molecular FormulaC23H34O6
  • Average mass406.513 Da
  • Monoisotopic mass406.235535 Da
  • ChemSpider ID78430322

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3β,5β,14ξ)-3,5,14,19-Tetrahydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(3β,5β,14ξ)-3,5,14,19-Tetrahydroxycard-20(22)-enolide [ACD/IUPAC Name]
(3β,5β,14ξ)-3,5,14,19-Tétrahydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3,5,14,19-tetrahydroxy-, (3β,5β,14ξ)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 629.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.2 mmHg at 25°C
Enthalpy of Vaporization: 106.8±6.0 kJ/mol
Flash Point: 217.6±25.0 °C
Index of Refraction: 1.637
Molar Refractivity: 105.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.50
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.39
ACD/KOC (pH 5.5): 44.13
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 44.13
Polar Surface Area: 107 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 72.3±3.0 dyne/cm
Molar Volume: 294.4±3.0 cm3

Click to predict properties on the Chemicalize site


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