ChemSpider 2D Image | (11xi,13beta,14beta)-Chelidonine | C20H19NO5

(11ξ,13β,14β)-Chelidonine

  • Molecular FormulaC20H19NO5
  • Average mass353.369 Da
  • Monoisotopic mass353.126312 Da
  • ChemSpider ID95532666

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(11ξ,13β,14β)-Chelidonin [German] [ACD/IUPAC Name]
(11ξ,13β,14β)-Chelidonine [ACD/IUPAC Name]
(11ξ,13β,14β)-Chélidonine [French] [ACD/IUPAC Name]
[1,3]Benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridin-6-ol, 5b,6,7,12b,13,14-hexahydro-13-methyl-, (5bS,12bR)- [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: 507.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 260.7±30.1 °C
Index of Refraction: 1.667
Molar Refractivity: 92.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.75
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 4.04
ACD/KOC (pH 5.5): 49.35
ACD/LogD (pH 7.4): 2.36
ACD/BCF (pH 7.4): 35.83
ACD/KOC (pH 7.4): 437.54
Polar Surface Area: 60 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 58.8±3.0 dyne/cm
Molar Volume: 248.4±3.0 cm3

Click to predict properties on the Chemicalize site


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