ChemSpider 2D Image | (11xi,14beta)-O~11~-Acetyl-13-methylchelidonine | C23H23NO6

(11ξ,14β)-O11-Acetyl-13-methylchelidonine

  • Molecular FormulaC23H23NO6
  • Average mass409.432 Da
  • Monoisotopic mass409.152527 Da
  • ChemSpider ID114392112

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(11ξ,14β)-O11-Acetyl-13-methylchelidonin [German] [ACD/IUPAC Name]
(11ξ,14β)-O11-Acetyl-13-methylchelidonine [ACD/IUPAC Name]
(11ξ,14β)-O11-Acétyl-13-méthylchélidonine [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-5b,13-dimethyl-, acetate (ester), (5bR,12bS)- [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: 499.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.7±3.0 kJ/mol
Flash Point: 255.7±28.7 °C
Index of Refraction: 1.667
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 67.34
ACD/KOC (pH 5.5): 466.71
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 280.54
ACD/KOC (pH 7.4): 1944.39
Polar Surface Area: 66 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 65.0±5.0 dyne/cm
Molar Volume: 287.1±5.0 cm3

Click to predict properties on the Chemicalize site


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