ChemSpider 2D Image | lappaconine | C23H37NO6

lappaconine

  • Molecular FormulaC23H37NO6
  • Average mass423.543 Da
  • Monoisotopic mass423.262085 Da
  • ChemSpider ID103882894

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1α,11β,14α,16β)-20-Ethyl-1,14,16-trimethoxyaconitan-4,8,9-triol [German] [ACD/IUPAC Name]
(1α,11β,14α,16β)-20-Ethyl-1,14,16-trimethoxyaconitane-4,8,9-triol [ACD/IUPAC Name]
(1α,11β,14α,16β)-20-Éthyl-1,14,16-triméthoxyaconitane-4,8,9-triol [French] [ACD/IUPAC Name]
23943-93-3 [RN]
Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, (1α,11β,14α,16β)- [ACD/Index Name]
lappaconine
Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, (1α,14α,16β)-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 539.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.0±6.0 kJ/mol
Flash Point: 280.3±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 109.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.11
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.96
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 52.03
Polar Surface Area: 92 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 60.3±5.0 dyne/cm
Molar Volume: 316.5±5.0 cm3

Click to predict properties on the Chemicalize site


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