ChemSpider 2D Image | (8xi,14xi,17xi,19E)-19-{[4-(2-Furyl)-2-butanyl]imino}-3,5,14-trihydroxycard-20(22)-enolide | C31H43NO6

(8ξ,14ξ,17ξ,19E)-19-{[4-(2-Furyl)-2-butanyl]imino}-3,5,14-trihydroxycard-20(22)-enolide

  • Molecular FormulaC31H43NO6
  • Average mass525.676 Da
  • Monoisotopic mass525.309021 Da
  • ChemSpider ID71299267

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 9 defined stereocentres

More details:

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

(8ξ,14ξ,17ξ,19E)-19-{[4-(2-Furyl)-2-butanyl]imino}-3,5,14-trihydroxycard-20(22)-enolid [German] [ACD/IUPAC Name]
(8ξ,14ξ,17ξ,19E)-19-{[4-(2-Furyl)-2-butanyl]imino}-3,5,14-trihydroxycard-20(22)-enolide [ACD/IUPAC Name]
(8ξ,14ξ,17ξ,19E)-19-{[4-(2-Furyl)-2-butanyl]imino}-3,5,14-trihydroxycard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 19-[[3-(2-furanyl)-1-methylpropyl]imino]-3,5,14-trihydroxy-, (8ξ,14ξ,17ξ,19E)- [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: 713.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 385.5±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 141.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 15.53
ACD/KOC (pH 5.5): 133.22
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 124.66
ACD/KOC (pH 7.4): 1069.26
Polar Surface Area: 112 Å2
Polarizability: 55.9±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 386.4±7.0 cm3

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