ChemSpider 2D Image | (3alpha,10xi,13xi,14xi,17xi,19E)-3,5,14-Trihydroxy-19-[(3-phenylpropanoyl)hydrazono]card-20(22)-enolide | C32H42N2O6

(3α,10ξ,13ξ,14ξ,17ξ,19E)-3,5,14-Trihydroxy-19-[(3-phenylpropanoyl)hydrazono]card-20(22)-enolide

  • Molecular FormulaC32H42N2O6
  • Average mass550.686 Da
  • Monoisotopic mass550.304260 Da
  • ChemSpider ID23009348

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 8 defined stereocentres

More details:

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

(3α,10ξ,13ξ,14ξ,17ξ,19E)-3,5,14-Trihydroxy-19-[(3-phenylpropanoyl)hydrazono]card-20(22)-enolid [German] [ACD/IUPAC Name]
(3α,10ξ,13ξ,14ξ,17ξ,19E)-3,5,14-Trihydroxy-19-[(3-phenylpropanoyl)hydrazono]card-20(22)-enolide [ACD/IUPAC Name]
(3α,10ξ,13ξ,14ξ,17ξ,19E)-3,5,14-Trihydroxy-19-[(3-phénylpropanoyl)hydrazono]card-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3,5,14-trihydroxy-19-[2-(1-oxo-3-phenylpropyl)hydrazinylidene]-, (3α,10ξ,13ξ,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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 148.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.68
ACD/KOC (pH 5.5): 335.30
ACD/LogD (pH 7.4): 2.11
ACD/BCF (pH 7.4): 23.68
ACD/KOC (pH 7.4): 335.33
Polar Surface Area: 128 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 58.0±7.0 dyne/cm
Molar Volume: 398.7±7.0 cm3

Click to predict properties on the Chemicalize site


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