ChemSpider 2D Image | (3alpha,8alpha,9xi,10alpha,13alpha,14alpha,17alpha)-3,14,19-Trihydroxycarda-4,20(22)-dienolide | C23H32O5

(3α,8α,9ξ,10α,13α,14α,17α)-3,14,19-Trihydroxycarda-4,20(22)-dienolide

  • Molecular FormulaC23H32O5
  • Average mass388.497 Da
  • Monoisotopic mass388.224976 Da
  • ChemSpider ID113598293

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(3α,8α,9ξ,10α,13α,14α,17α)-3,14,19-Trihydroxycarda-4,20(22)-dienolid [German] [ACD/IUPAC Name]
(3α,8α,9ξ,10α,13α,14α,17α)-3,14,19-Trihydroxycarda-4,20(22)-dienolide [ACD/IUPAC Name]
(3α,8α,9ξ,10α,13α,14α,17α)-3,14,19-Trihydroxycarda-4,20(22)-diénolide [French] [ACD/IUPAC Name]
Carda-4,20(22)-dienolide, 3,14,19-trihydroxy-, (3α,8α,9ξ,10α,13α,14α,17α)- [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: 616.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.9±6.0 kJ/mol
Flash Point: 214.6±25.0 °C
Index of Refraction: 1.618
Molar Refractivity: 104.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.53
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.47
ACD/KOC (pH 5.5): 160.55
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 8.47
ACD/KOC (pH 7.4): 160.55
Polar Surface Area: 87 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 60.5±5.0 dyne/cm
Molar Volume: 297.3±5.0 cm3

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